1-Bromo-2-butanol

Base Information

• Chemical Name: 1-Bromo-2-butanol
• CAS No.: 2482-57-7
• Deprecated CAS: 117708-65-3
• Molecular Formula: C4H9 Br O
• Molecular Weight: 153.019
• Hs Code.: 2905590090
• European Community (EC) Number: 677-965-5
• DSSTox Substance ID: DTXSID30334264
• Nikkaji Number: J150.192E
• Mol file: 2482-57-7.mol

Synonyms:1-Bromo-2-butanol;2482-57-7;1-bromobutan-2-ol;2-Butanol, 1-bromo-;1,2-Butane Bromohydrin;SCHEMBL538316;DTXSID30334264;CAA48257;MFCD00059883;AKOS006228013;B0932;CS-0197080;FT-0690986;F74055;EN300-1913739;4-(5-(4-fluorobenzyl)-4,5,6,7-tetrahydrooxazolo[4,5-c]pyridin-2-yl)benzoic acid

Chemical Property of 1-Bromo-2-butanol

Chemical Property:

• Vapor Pressure: 0.612mmHg at 25°C
• Refractive Index: 1.476
• Boiling Point: 165.9°C at 760 mmHg
• PKA: 13.89±0.20(Predicted)
• Flash Point: 65.9°C
• PSA: 20.23000
• Density: 1.46
• LogP: 1.15220
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 151.98368
• Heavy Atom Count: 6
• Complexity: 30.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Bromo-2-butanol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CBr)O

Technology Process of 1-Bromo-2-butanol

There total 7 articles about 1-Bromo-2-butanol 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: 99.0%

ethyloxirane (106-88-7) → 1-bromo-2-butanol (2482-57-7)

Guidance literature:

With zirconium(IV) oxide; bromine; In dichloromethane; regioselective reaction;

DOI:10.13005/ojc/280335

Reference yield: 90.0%

carbon tetrabromide (558-13-4) + 1,2-dihydroxybutane (584-03-2) → 1-bromo-2-butanol (2482-57-7)

Guidance literature:

With triphenylphosphine; In pyridine; ethyl acetate;

Reference yield:

1-butylene (106-98-9,9003-28-5) → 1-bromo-2-butanol (2482-57-7)

Guidance literature:

With hypobromous acid; unter Kuehlung;

upstream raw materials:

ethyloxirane

1-butylene

(R)-1,2-butanediol

hydrogen bromide

Downstream raw materials:

ethyloxirane

(S)-2-butanol

1-Bromo-2-butanone

1-bromo-2-fluorobutane

Refernces

• 1、 Reddy, M.Arjun,Surendra,Bhanumathi,Rao, K.Rama. "Highly facile biomimetic regioselective ring opening of epoxides to halohydrins in the presence of β-cyclodextrin". . p. 6003 - 6008. Retrieved 2007/10/03.
• 2、 Guindon, Yvan,Therien, Michel,Girard, Yves,Yoakim, Christiane. "Regiocontrolled Opening of Cyclic Ethers Using Dimethylboron Bromide". . p. 1680 - 1686. Retrieved 2007/10/02.