(2S)-1-(2H-1,3-benzodioxol-5-yl)propan-2-ol

Base Information

• Chemical Name: (2S)-1-(2H-1,3-benzodioxol-5-yl)propan-2-ol
• CAS No.: 172542-26-6
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• European Community (EC) Number: 879-610-1
• Nikkaji Number: J722.093F
• Mol file: 172542-26-6.mol

Synonyms:172542-26-6;(2S)-1-(2H-1,3-benzodioxol-5-yl)propan-2-ol;(S)-alpha-methyl-1,3-benzodioxole-5-ethanol;(2S)-1-(1,3-benzodioxol-5-yl)propan-2-ol;(2s)-1-(1,3-Dioxaindan-5-yl)propan-2-ol;(S)-[4-(3,4-METHYLENEDIOXY)-PHENYL]-2-PROPANOL;SCHEMBL4170645;RVMKZYKJYMJYDG-ZETCQYMHSA-N;AKOS026729737;CS-0233583;(S)-alpha-methyl-1,3 benzodioxole-5-ethanol;(S)-alpha-methyl-1, 3-benzodioxole-5-ethanol;EN300-134646;Z1650168507

Chemical Property of (2S)-1-(2H-1,3-benzodioxol-5-yl)propan-2-ol

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 292.1°Cat760mmHg
• Flash Point: 130.5°C
• PSA: 38.69000
• Density: 1.219g/cm³
• LogP: 1.33860
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

(2S)-1-(2H-1,3-benzodioxol-5-yl)propan-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC2=C(C=C1)OCO2)O
• Isomeric SMILES: C[C@@H](CC1=CC2=C(C=C1)OCO2)O

Technology Process of (2S)-1-(2H-1,3-benzodioxol-5-yl)propan-2-ol

There total 13 articles about (2S)-1-(2H-1,3-benzodioxol-5-yl)propan-2-ol 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: 100.0%

1-(1,3-benzodioxol-5-yl)-2-propanone (4676-39-5) → (S)-α-methyl-1,3-benzodioxole-5-ethanol (172542-26-6)

Guidance literature:

With Debaryomyces hansenii cells; isopropyl alcohol; In water; at 28 ℃; for 1h;

DOI:10.1016/j.tetasy.2005.12.025

Reference yield: 94.0%

4-Nitro-benzoic acid (S)-2-benzo[1,3]dioxol-5-yl-1-methyl-ethyl ester (521098-00-0) → (S)-α-methyl-1,3-benzodioxole-5-ethanol (172542-26-6)

Guidance literature:

With potassium carbonate; In methanol; at 0 ℃; for 4h;

DOI:10.1016/S0957-4166(02)00836-4

Reference yield: 91.0%

1,2-(methylenedioxy)-4-bromobenzene (2635-13-4) + methyloxirane (75-56-9,16033-71-9) → (S)-α-methyl-1,3-benzodioxole-5-ethanol (172542-26-6)

Guidance literature:

With magnesium; copper(I) iodide; In tetrahydrofuran; pentane;

upstream raw materials:

1-(1,3-benzodioxol-5-yl)-2-propanone

vinyl acetate

β-oxy-α-(3',4'-methylenedioxyphenyl)propane

4-Nitro-benzoic acid (S)-2-benzo[1,3]dioxol-5-yl-1-methyl-ethyl ester

Downstream raw materials:

isochroman

(8R)-7-acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepine

(5RS,7S)-7,8-dihydro-7-methyl-5-(4-nitrophenyl)-5H-1,3-dioxolo[4,5-G][2]benzopyran-5-ol

(R)-7-acetyl-8,9-dihydro-8-methyl-5-(4-nitrophenyl)-7H-1,3-dioxolo[4,5-h][2,3]-benzodiazepine