1,2-Isopropylidene-D,L-myo-inositol

Base Information

• Chemical Name: 1,2-Isopropylidene-D,L-myo-inositol
• CAS No.: 26276-97-1
• Molecular Formula: C₉H₁₆O₆
• Molecular Weight: 220.222
• Hs Code.: 2906139000
• DSSTox Substance ID: DTXSID40450489
• Nikkaji Number: J1.521.039G
• Wikidata: Q82270238
• Mol file: 26276-97-1.mol

Synonyms:26276-97-1;(3Ar,4S,5R,6R,7S,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5,6,7-tetrol;(3aR,4S,5R,6R,7S,7aS)-2,2-dimethyl-hexahydro-2H-1,3-benzodioxole-4,5,6,7-tetrol;1,2-Isopropylidene-D,L-myo-inositol;SCHEMBL2951506;DTXSID40450489;RUICEADCEITZAL-XGDQQJSASA-N;1-O,2-O-Isopropylidene-L-myo-inositol;CS-0450273;(3AR,4S,5R,6R,7S,7aS)-2,2-dimethylhexahydrobenzo[d][1,3]dioxole-4,5,6,7-tetraol;(3aS,4S,5R,6R,7S,7aR)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5,6,7-tetrol

Chemical Property of 1,2-Isopropylidene-D,L-myo-inositol

Chemical Property:

• Boiling Point: 386.4±42.0 °C(Predicted)
• PKA: 12.88±0.70(Predicted)
• PSA: 99.38000
• Density: 1.476±0.06 g/cm3(Predicted)
• LogP: -2.03630
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 220.09468823
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

95% ^*data from raw suppliers

1,2-Isopropylidene-D,L-myo-inositol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC2C(C(C(C(C2O1)O)O)O)O)C
• Isomeric SMILES: CC1(O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@@H]2O1)O)O)O)O)C
• Uses: 1,2-Isopropylidene D,L-myo-Inositol (cas# 26276-97-1 ) is a compound useful in organic synthesis.

Technology Process of 1,2-Isopropylidene-D,L-myo-inositol

There total 1 articles about 1,2-Isopropylidene-D,L-myo-inositol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(CH)6O2C3H6OCOC6H5OHOHOCOC6H5 → Benzoic acid (3aS,4R,5S,6R,7R,7aS)-5,6,7-trihydroxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxol-4-yl ester + Benzoic acid (3aS,4S,5R,6S,7S,7aS)-5,6,7-trihydroxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxol-4-yl ester + (+/-)-1,2-O-isopropylidene-myo-inositol (6404-82-6,13035-67-1,26276-97-1,65795-25-7,113972-96-6,113973-63-0,128387-20-2,149820-68-8)

Guidance literature:

With sodium methylate; In methanol; acetone; for 0.25h; Title compound not separated from byproducts;

DOI:10.1016/0960-894X(96)00371-X

Reference yield: 90.0%

benzyl bromide (100-39-0) + (+/-)-1,2-O-isopropylidene-myo-inositol (6404-82-6,13035-67-1,26276-97-1,65795-25-7,113972-96-6,113973-63-0,128387-20-2,149820-68-8) → (±)-1,4,5,6-tetra-O-benzyl-2,3-O-isopropylidene-myo-inositol (29847-13-0,111466-09-2,131233-64-2,131233-67-5,141040-34-8,142436-03-1,142795-29-7)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1016/0040-4039(94)85318-5

Reference yield: 40.0%

(S)-2-chloro-2-oxo-1-phenylethyl acetate (51019-44-4) + (+/-)-1,2-O-isopropylidene-myo-inositol (6404-82-6,13035-67-1,26276-97-1,65795-25-7,113972-96-6,113973-63-0,128387-20-2,149820-68-8) → D-3-O-[(S)-O-acetylmandeloyl]-1,2-O-isopropylidene-myo-inositol + L-3-O-[(S)-O-acetylmandeloyl]-1,2-O-isopropylidene-myo-inositol + D-3,6-di-O-[(S)-O-acetylmandeloyl]-1,2-O-isopropylidene-myo-inositol (602278-90-0) + L-3,6-di-O-[(S)-O-acetylmandeloyl]-1,2-O-isopropylidene-myo-inositol (602278-89-7)

Guidance literature:

(+/-)-1,2-O-isopropylidene-myo-inositol; With di(n-butyl)tin oxide; In toluene; for 1h; Heating;

(S)-2-chloro-2-oxo-1-phenylethyl acetate; In dichloromethane; at -20 ℃;

With acetic acid; In dichloromethane;

DOI:10.1016/j.tetasy.2004.11.030

Downstream raw materials:

(+/-)-3,4,6-tri-O-benzyl-1,2-O-isopropylidene-myo-inositol

(+/-)-1,5,6-tri-O-benzyl-2,3-O-isopropylidene-myo-inositol

(±)-1,2-O-isopropylidene-3,6-di-O-benzyl-myo-inositol

(±)-1,4,5,6-tetra-O-benzyl-2,3-O-isopropylidene-myo-inositol

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