3-Butene-1,2-diol

Base Information

• Chemical Name: 3-Butene-1,2-diol
• CAS No.: 497-06-3
• Molecular Formula: C4H8 O2
• Molecular Weight: 88.1063
• European Community (EC) Number: 207-835-1
• UNII: PP8001HM3T
• DSSTox Substance ID: DTXSID60870564
• Nikkaji Number: J25.059G
• Wikidata: Q27286690
• Mol file: 497-06-3.mol

Synonyms:1,2-dihydroxy-3-butene;3,4-dihydroxy-1-butene;3-butene-1,2-diol

Chemical Property of 3-Butene-1,2-diol

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Melting Point: 15.1°C (estimate)
• Refractive Index: n20/D 1.462
• Boiling Point: 196.5°Cat760mmHg
• PKA: 13.68±0.20(Predicted)
• Flash Point: 89.3°C
• PSA: 40.46000
• Density: 1.036g/cm³
• LogP: -0.47440
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 88.052429494
• Heavy Atom Count: 6
• Complexity: 42.8

Purity/Quality:

99.0% ^*data from raw suppliers

(+/-)-3-Butene-1,2-diol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Other Monomers
• Canonical SMILES: C=CC(CO)O
• Uses: Decomposition product of Erythritol. 3,4-Dihydroxy-1-butene can be used:As a reactant to synthesize cyclic organic carbonates by continuous flow procedure.To prepare substituted oxazolidinone ligands used to target medicinally relevant RNAs.

Technology Process of 3-Butene-1,2-diol

There total 45 articles about 3-Butene-1,2-diol 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: 96.0%

4-vinyl-1,3-dioxolan-2-one (4427-96-7) → methanol (67-56-1) + 3,4-butenediol (497-06-3,86161-40-2)

Guidance literature:

With carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)-amino]ruthenium(II); potassium carbonate; In isopropyl alcohol; at 140 ℃; Glovebox;

DOI:10.1021/cs501133m

Reference yield: 93.0%

epoxybutene (930-22-3,62249-81-4) → 3,4-butenediol (497-06-3,86161-40-2) + 1,4-butenediol (821-11-4,6117-80-2,110-64-5)

Guidance literature:

With water; molybdenum-containing silicate; at 25 ℃; for 5h; Product distribution / selectivity;

Reference yield: 75.6%

1,4-butenediol (821-11-4,6117-80-2,110-64-5) → 3,4-butenediol (497-06-3,86161-40-2)

Guidance literature:

With sulfuric acid; mercury(II) sulfate; In water; at 90 - 95 ℃; for 4h;

upstream raw materials:

epoxybutene

trans-1,4-dichlorobut-2-ene

1,4-dibromo-2-butene

(E)-1,4-dibromobutene

Downstream raw materials:

1,4-dibromo-2-butene

meso-erythritol

rac-threitol

1,2-diacetoxy-3-butene

Refernces

• 1、 -. "Preparation method of vinylethylene sulfite". Paragraph 0033-0034. . Retrieved 2021/03/31.
• 2、 Solís-Mu?ana, Pablo,Salam, Joanne,Ren, Chloe Z.-J.,Carr, Bronte,Whitten, Andrew E.,Warr, Gregory G.,Chen, Jack L.-Y.. "An Amphiphilic (salen)Co Complex – Utilizing Hydrophobic Interactions to Enhance the Efficiency of a Cooperative Catalyst". supporting information. p. 3207 - 3213. Retrieved 2021/06/01.