(2R,3R)-rel-2,3-Dibromobutane-1,4-diol

Base Information

• Chemical Name: (2R,3R)-rel-2,3-Dibromobutane-1,4-diol
• CAS No.: 1947-58-6
• Molecular Formula: C4H8Br2O2
• Molecular Weight: 247.914
• Hs Code.: 2905590090
• Nikkaji Number: J215.751I
• Mol file: 1947-58-6.mol

Synonyms:(2R,3R)-rel-2,3-Dibromobutane-1,4-diol;1,4-Butanediol, 2,3-dibromo-, (theta,theta)-;90801-18-6;(2R,3R)-2,3-Dibromo-1,4-butanediol;1,4-Butanediol, 2,3-dibromo-, (R,R)-

Chemical Property of (2R,3R)-rel-2,3-Dibromobutane-1,4-diol

Chemical Property:

• Vapor Pressure: 3.73E-05mmHg at 25°C
• Melting Point: 88-90 °C
• Refractive Index: 1.583
• Boiling Point: 315.4 °C at 760 mmHg
• PKA: 13.40±0.10(Predicted)
• Flash Point: 156.6 °C
• PSA: 40.46000
• Density: 2.124 g/cm³
• LogP: 0.49800
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 247.88706
• Heavy Atom Count: 8
• Complexity: 52

Purity/Quality:

97% ^*data from raw suppliers

2,3-Dibromo-1,4-butanediol 99% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(CO)Br)Br)O
• Isomeric SMILES: C([C@H]([C@@H](CO)Br)Br)O

Technology Process of (2R,3R)-rel-2,3-Dibromobutane-1,4-diol

There total 6 articles about (2R,3R)-rel-2,3-Dibromobutane-1,4-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: 91.0%

1,4-butenediol (6117-80-2) → dl-2,3-dibromo-1,4-butanediol (1947-58-6,19953-61-8)

Guidance literature:

With 1,1'-(ethane-1,2-diyl)dipyridinium bistribromide; at 20 ℃; for 0.416667h;

DOI:10.1021/jo050059u

Reference yield: 90.0%

(5S,6S)-5,6-Dibromo-2,2-dimethyl-[1,3]dioxepane → dl-2,3-dibromo-1,4-butanediol (1947-58-6,19953-61-8)

Guidance literature:

With sodium benzenesulfonate; In N,N-dimethyl-formamide; at 60 ℃; for 3h;

DOI:10.1016/0040-4039(95)01988-T

Reference yield:

→ dl-2,3-dibromo-1,4-butanediol (1947-58-6,19953-61-8)

Guidance literature:

With hydrogenchloride; methanol;

DOI:10.1021/jo01118a007

upstream raw materials:

1,4-butenediol

bromine

succinic acid 1,1'-((RS,RS)-2,3-dibromo-butane-1,4-diyl) ester

Downstream raw materials:

rac-1,2,3,4-diepoxybutane

1,4-butenediol

trans-butene-1,4-diol

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