3-Butene-1,2-diol, 2-methyl-, (2S)-

Base Information

• Chemical Name: 3-Butene-1,2-diol, 2-methyl-, (2S)-
• CAS No.: 86777-87-9
• Molecular Formula: C5H10O2
• Molecular Weight: 102.133
• DSSTox Substance ID: DTXSID50476998
• Nikkaji Number: J1.198.164J
• Wikidata: Q82309012

Synonyms:3-Butene-1,2-diol, 2-methyl-, (2S)-;86777-87-9;DTXSID50476998

Chemical Property of 3-Butene-1,2-diol, 2-methyl-, (2S)-

Chemical Property:

• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 70.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)(C=C)O
• Isomeric SMILES: C[C@@](CO)(C=C)O

Technology Process of 3-Butene-1,2-diol, 2-methyl-, (2S)-

There total 2 articles about 3-Butene-1,2-diol, 2-methyl-, (2S)- 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:

isoprene (78-79-5,9003-31-0) → 3-methylbutane-1,2-diol (50468-22-9) + (±)-2-methylbut-3-ene-1,2-diol (79563-72-7,86777-87-9,86832-94-2,24058-88-6) + (±)-3-methylbut-3-ene-1,2-diol (38585-87-4) + 1-hydroxy-3-methyl-2-butanone (36960-22-2)

Guidance literature:

With Pseudomonas putida ML 2; wild type strain; In phosphate buffer; at 4 ℃; for 24h; pH=7.5; Further Variations:; Reagents; addition of propylene glycol; Product distribution; Kinetics; Enzymatic reaction;

DOI:10.1007/s007060070096

Reference yield:

isoprene epoxide (1838-94-4) → 4-penten-3-one (1629-58-9) + (±)-2-methylbut-3-ene-1,2-diol (79563-72-7,86777-87-9,86832-94-2,24058-88-6) + C10H16O2 + C20H32O4 + C25H40O5

Guidance literature:

With sulfuric acid; water; Flow reactor;

DOI:10.1021/ja508989a

Reference yield: 84.0%

2-bromo-1-chlorobenzene (694-80-4) + (S)-(-)-2-methyl-3-butene-1,2-diol (86777-87-9) → (E)-(S)-4-(2-Chloro-phenyl)-2-methyl-but-3-ene-1,2-diol (845894-18-0)

Guidance literature:

With tris-(o-tolyl)phosphine; palladium diacetate;

DOI:10.1016/j.tetlet.2004.12.043

upstream raw materials:

isoprene

isoprene epoxide

Downstream raw materials:

C₁₄H₁₅Cl₃FNO₂

C₁₈H₁₉F₂NO

1-(4-fluorobenzyloxy)-2-methyl-but-3-ene-2-ol

(S)-(-)-2-methyl-2-hydroxy-3-buten-1-yl p-toluenesulfonate

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