1,2,3-Butanetriol

Base Information

• Chemical Name: 1,2,3-Butanetriol
• CAS No.: 4435-50-1
• Molecular Formula: C4H10 O3
• Molecular Weight: 106.122
• Hs Code.: 2905499000
• European Community (EC) Number: 224-643-3
• DSSTox Substance ID: DTXSID80871078
• Nikkaji Number: J205.815D
• Metabolomics Workbench ID: 46679
• Mol file: 4435-50-1.mol

Synonyms:1,2,3-Butanetriol;Butane-1,2,3-triol;4435-50-1;1,2,3-TRIHYDROXYBUTANE;EINECS 224-643-3;(2R*,3R*)-1,2,3-Butanetriol;1,2,3-Butanetril;METHYL GLYCERIN;BWU4IG3WAC;UNII-BWU4IG3WAC;SCHEMBL50023;2-Phenylmethyloxyethyl chloride;1,2,3-Butanetriol, AldrichCPR;DTXSID80871078;CHEBI:131388;MFCD00059662;SB83873;BS-50980;B0918;CS-0332229;FT-0690801;D88714

Chemical Property of 1,2,3-Butanetriol

Chemical Property:

• Refractive Index: 1.4670-1.4730
• Boiling Point: 175°C 27mm
• PKA: 14.16±0.20(Predicted)
• Flash Point: 145.8oC
• PSA: 60.69000
• Density: 1,18 g/cm3
• LogP: -1.27960
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 106.062994177
• Heavy Atom Count: 7
• Complexity: 46.2

Purity/Quality:

98% ^*data from raw suppliers

1,2,3-Butanetriol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(CO)O)O

Technology Process of 1,2,3-Butanetriol

There total 48 articles about 1,2,3-Butanetriol 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%

(E)-but-2-enol (504-61-0,542-72-3) → butane-1,2,3-triol (4435-50-1)

Guidance literature:

With water; 4-methylmorpholine N-oxide; osmium; Cu-Al-hydrotalcite; In toluene; at 60 ℃; for 8.5h;

DOI:10.1039/b310686a

Reference yield: 94.0%

Wilkinson's catalyst (14694-95-2) + sorbose (57-48-7,87-79-6,87-81-0,551-68-8,3615-39-2,3615-56-3,6035-50-3,7776-48-9,16354-64-6,17598-81-1,17598-82-2,23140-52-5,30237-26-4,65732-90-3,73952-10-0,73952-11-1,139686-85-4,18875-34-8) → (2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) + chlorocarbonylbis(triphenylphosphine)rhodium(I) (15318-33-9,16353-77-8,13938-94-8) + XYLITOL (87-99-0) + DL-1-deoxy-threitol (4144-94-9,4435-50-1,33818-52-9,41167-49-1,61913-75-5,61913-76-6,122920-28-9,138257-33-7)

Guidance literature:

In further solvent(s); argon-filled glovebox, durene, bibenzyl, heating 6h;

DOI:10.1021/om00113a029

Reference yield: 54.0%

hydroperoxide de 1-methyl-prop-2-enyle (20733-08-8) → butane-1,2,3-triol (4435-50-1)

Guidance literature:

With osmium(VIII) oxide; 2-((1S)-(6-methoxyquinolin-4-yl)((trimethylsilyl)oxy)methyl)5-vinylquinuclidine; water; In acetone; at 0 ℃; for 1h; enantioselective reaction;

DOI:10.3906/kim-1411-68

upstream raw materials:

2-hydroxy-3-butene

(E/Z)-2-buten-1-ol

D-sorbitol

glucose

Downstream raw materials:

(E/Z)-2-buten-1-ol

1.3-butanediol

iso-butanol

butan-1-ol

Refernces

• 1、 Said, Achraf,Da Silva Perez, Denilson,Perret, Noémie,Pinel, Catherine,Besson, Michèle. "Selective C?O Hydrogenolysis of Erythritol over Supported Rh-ReOx Catalysts in the Aqueous Phase". . p. 2768 - 2783. Retrieved 2017/07/28.
• 2、 -. "A method for producing isomaltooligo hydrogenolytic". Paragraph 0079-0081. . Retrieved 2017/01/02.