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1,2:5,6-Bis-O-(1-methylethylidene)-D-mannitol
- Iupac Name：(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
- CAS No.: 1707-77-3
- Molecular Weight：262.29948
- Modify Date.: 2024-03-13 23:46
- Introduction:
1,2:5,6-Bis-O-(1-methylethylidene)-D-mannitol, with the chemical formula C14H24O6 and CAS registry number 1707-77-3, is a compound known for its applications in pharmaceutical and chemical industries. This compound, also referred to as 1,2:5,6-Di-O-isopropylidene-D-mannitol, is characterized by its isopropylidene and mannitol functional groups. It is commonly used as a protecting group in organic synthesis, providing stability to sensitive functional groups during chemical reactions. Additionally, it has been found to possess antioxidant and anti-inflammatory properties, making it a potential candidate for therapeutic applications. The compound is typically a white crystalline solid, soluble in water and organic solvents. Further research is being conducted to explore its potential uses in various fields.
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1. Names and Identifiers
- 1.1 Name
- 1,2:5,6-Bis-O-(1-methylethylidene)-D-mannitol
- 1.2 Synonyms
(1S,2S)-1,2-Bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-ethanediol (1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (1S,2S)-1,2-Bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (non-preferred name) 1,2:5,6-Di-O-isopropylidene-D- Mannitol 1,2-Bis(2,2-Dimethyl-1,3-Dioxolan-4-yl)-1,2-Ethanediol 2-Propanone, compd. with D-mannofuranose (2:1) Acetone - D-mannofuranose (2:1) Diacetone Mannitol Diacetone-D-Mannitol D-Mannitol Diacetonide EINECS 216-954-8 MFCD00003211
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- 1.3 CAS No.
- 1707-77-3
- 1.4 CID
- 96011
- 1.5 EINECS(EC#)
- 216-954-8
- 1.6 Molecular Formula
- C12H22O6 (isomer)
- 1.7 Inchi
- InChI=1S/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1
- 1.8 InChIkey
- ODYBCPSCYHAGHA-ZYUZMQFOSA-N
- 1.9 Canonical Smiles
- CC1(OCC(O1)C(C(C2COC(O2)(C)C)O)O)C
- 1.10 Isomers Smiles
- CC1(OC[C@@H](O1)[C@H]([C@@H]([C@H]2COC(O2)(C)C)O)O)C
2. Properties
- 2.1 Density
- 1.175
- 2.1 Melting point
- 120-122℃
- 2.1 Boiling point
- 382 °C at 760 mmHg
- 2.1 Refractive index
- 6.5 ° (C=8, CHCl3)
- 2.1 Flash Point
- 184.8 °C
- 2.1 Precise Quality
- 262.14200
- 2.1 PSA
- 77.38000
- 2.1 logP
- 0.01120
- 2.1 Solubility
- methanol: 100?mg/mL, clear, colorless
- 2.2 Appearance
- odorless White crystalline.
- 2.3 Storage
- Keep Cold.
- 2.4 Chemical Properties
- White Solid
- 2.5 Color/Form
- Powder
- 2.6 pKa
- 12.98±0.20(Predicted)
- 2.7 Water Solubility
- methanol: 100 mg/mL, clear, colorless
- 2.8 StorageTemp
- 2-8°C
3. Use and Manufacturing
- 3.1 Purification Methods
- Although quite soluble in H2O, it gives a purer product when crystallised from this solvent, forming needles [Baer J Am Chem Soc 67 338 1945, NMR: Curtis et al. J Chem Soc, Perkin Trans 1 1756 1977]. [Beilstein 19/11 V 589.] 1,2:5,6-Bis-O-(1-methylethylidene)-D-mannitol Preparation Products And Raw materials Preparation Products
- 3.2 Usage
- Nebivolol intermediate.
4. Safety and Handling
- 4.1 Hazard Codes
- Xi
- 4.1 Risk Statements
- R36/37/38
- 4.1 Safety Statements
- 22-24/25-36/37-26
- 4.1 WGK Germany
- 3
- 4.1 Safety
- Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:22-24/25-36/37-26
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
36/37:Wear suitable protective clothing and gloves
26:In case of contact with eyes, rinse immediately with plenty
of water and seek medical advice
WGK Germany:3
- 4.2 Specification
-
White Solid
usageEng:Nebivolol intermediate.
Safety Statements:22-24/25-36/37-26
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
36/37:Wear suitable protective clothing and gloves
26:In case of contact with eyes, rinse immediately with plenty
of water and seek medical advice
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Synthesis Route
1707-77-3Total: 24 Synthesis Route
8. Other Information
- 8.0 BRN
- 83765
- 8.1 Chemical Properties
- White Solid
- 8.2 Uses
- Nebivolol intermediate.
- 8.3 Purification Methods
- Although quite soluble in H2O, it gives a purer product when crystallised from this solvent, forming needles [Baer J Am Chem Soc 67 338 1945, NMR: Curtis et al. J Chem Soc, Perkin Trans 1 1756 1977]. [Beilstein 19/11 V 589.]
9. Computational chemical data
- Molecular Weight: 262.29948g/mol
- Molecular Formula: C12H22O6
- Compound Is Canonicalized: True
- XLogP3-AA: -0.5
- Exact Mass: 262.14163842
- Monoisotopic Mass: 262.14163842
- Complexity: 273
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 77.4
- Heavy Atom Count: 18
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceBwOAAAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
10. Question & Answer
-
Basic description 1,2:5,6-Bis-O-(1-methylethylidene)- The alias of D-mannitol is 1,2:5,6-diisopropylidene-D-mannitol. The CAS number is 1707-77-3. It is a white solid with a molecular formula of C12H2..
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1,2:5,6-Bis-O-(1-methylethylidene)-D-mannitol is a product that many people have not heard of. When purchasing this product, it is important to have a detailed understanding of its basic properties su..
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12. Realated Product Infomation
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