2-Methylbutane-1,2,4-triol

Base Information

• Chemical Name: 2-Methylbutane-1,2,4-triol
• CAS No.: 62875-07-4
• Molecular Formula: C5H12O3
• Molecular Weight: 120.148
• European Community (EC) Number: 263-746-8
• DSSTox Substance ID: DTXSID80978612
• Nikkaji Number: J307.141C
• Mol file: 62875-07-4.mol

Synonyms:2-Methylbutane-1,2,4-triol;62875-07-4;1,2,4-Butanetriol, 2-methyl-;EINECS 263-746-8;2-methyl-1,2,4-butanetriol;1,2,4-Butanetriol,2-methyl-;SCHEMBL28594;DTXSID80978612;MFCD18976145;AKOS024257954;SB84538;AS-58672;EN300-1706111;Z1238572721

Chemical Property of 2-Methylbutane-1,2,4-triol

Chemical Property:

• Vapor Pressure: 0.000292mmHg at 25°C
• Refractive Index: 1.486
• Boiling Point: 286.7 °C at 760 mmHg
• Flash Point: 145.5 °C
• PSA: 60.69000
• Density: 1.159 g/cm³
• LogP: -0.88790
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.078644241
• Heavy Atom Count: 8
• Complexity: 64.7

Purity/Quality:

99% ^*data from raw suppliers

2-Methylbutane-1,2,4-triol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCO)(CO)O

Technology Process of 2-Methylbutane-1,2,4-triol

There total 9 articles about 2-Methylbutane-1,2,4-triol 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: 84.0%

3,4-epoxy-3-methylbutanol (59954-67-5) → (+/-)-2-methylbutane-1,2,4-triol (62875-07-4)

Guidance literature:

With Amberlyst A 26 (CO₃^2- form); In benzene; for 6h; Heating;

DOI:10.1021/jo00145a004

Reference yield: 71.0%

2-methyl-1-buten-4-ol (763-32-6) → (+/-)-2-methylbutane-1,2,4-triol (62875-07-4)

Guidance literature:

2-methyl-1-buten-4-ol; With dihydrogen peroxide; bis(2,4-pentanedionato)dioxomolybdenum(VI); In acetonitrile; at 30 ℃;

With diphenyl sulfide; regioselective reaction;

DOI:10.1021/acscatal.8b01449

Reference yield:

(((3-methylbut-3-en-1-yl)oxy)methyl)benzene (58558-53-5) → (+/-)-2-methylbutane-1,2,4-triol (62875-07-4)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃; mCPBA / CH₂Cl₂ / 21 h / 20 °C

2: H₂ / Pd/C / methanol; CH₂Cl₂ / 20 h

3: H₂O / H₂SO₄ / tetrahydrofuran

With water; hydrogen; potassium carbonate; 3-chloro-benzenecarboperoxoic acid; palladium on activated charcoal; sulfuric acid; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1002/1099-0690(200011)2000:22<3703::AID-EJOC3703>3.0.CO;2-3

upstream raw materials:

2-hydroxy-2-methylbutane-1,4-dioic acid

3,4-epoxy-3-methylbutanol

ethyl 3-hydroxy-3-formylbutyrate

(S)-citramalic acid