2-Bromoprop-2-en-1-ol

Base Information

• Chemical Name: 2-Bromoprop-2-en-1-ol
• CAS No.: 598-19-6
• Molecular Formula: C3H5BrO
• Molecular Weight: 136.976
• Hs Code.: 2905590090
• European Community (EC) Number: 626-494-3
• DSSTox Substance ID: DTXSID50332227
• Nikkaji Number: J2.714F
• Wikidata: Q27095138
• Metabolomics Workbench ID: 52515
• Mol file: 598-19-6.mol

Synonyms:2-Bromoallyl alcohol;2-bromoprop-2-en-1-ol;598-19-6;2-BROMO-2-PROPENE-1-OL;2-bromo-2-propen-1-ol;2-Propen-1-ol, 2-bromo-;2-bromo-prop-2-en-1-ol;MFCD09265077;2-bromanylprop-2-en-1-ol;2-Bromoallyl alcohol, 97%;SCHEMBL603294;CHEBI:49514;DTXSID50332227;AKOS010094476;DB04320;SB84231;AS-57254;SY043202;B5347;FT-0655304;D84296;EN300-160067;A832482;J-802065;Q27095138;Z600440434

Chemical Property of 2-Bromoprop-2-en-1-ol

Chemical Property:

• Vapor Pressure: 0.82mmHg at 25°C
• Refractive Index: n20/D 1.5037
• Boiling Point: 58-62 °C/100 mbar
• PKA: 14.35±0.10(Predicted)
• Flash Point: 77 °C
• PSA: 20.23000
• Density: 1.654 g/mL at 25 °C
• LogP: 0.88730
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.95238
• Heavy Atom Count: 5
• Complexity: 42.2

Purity/Quality:

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

2-Bromoallyl Alcohol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(CO)Br

Technology Process of 2-Bromoprop-2-en-1-ol

There total 10 articles about 2-Bromoprop-2-en-1-ol 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: 98.0%

propargyl alcohol (107-19-7) → 2-bromoallyl alcohol (598-19-6)

Guidance literature:

With tetraethylammonium bromide; hydrogen bromide; In dichloromethane; at 25 - 45 ℃; for 3h;

DOI:10.1021/ja0576379

Reference yield: 72.0%

2-bromoallyl bromide (513-31-5) → 2-bromoallyl alcohol (598-19-6)

Guidance literature:

2-bromoallyl bromide; With potassium acetate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

With water; lithium hydroxide; In methanol; N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield:

1-acetoxy-2-bromo-2-propene (63915-88-8) + methyl-malonic acid dimethylester (609-02-9) → 2-bromoallyl alcohol (598-19-6) + methyl 4-bromo-2-(methylcarboxy)-2-methylpent-4-enoate (199923-58-5) + 2-methyl-2-(1-phenoxymethyl-vinyl)-malonic acid dimethyl ester + (E)-tetramethyl 3-methylenehexane-2,2,5,5-tetracarboxylate

Guidance literature:

methyl-malonic acid dimethylester; With sodium hydride; In tetrahydrofuran; at 20 ℃;

1-acetoxy-2-bromo-2-propene; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium phenoxide; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1021/jo034119c

upstream raw materials:

2-bromo-3-chloro-propene

2-bromoallyl bromide

propargyl alcohol

1-acetoxy-2-bromo-2-propene

Downstream raw materials:

propargyl alcohol

bis-(2-bromo-allyl)-ether

2-(3-benzyloxymethyl-3-hydroxy-4-hydroxymethylpent-4-enyl)-2-methyl-1,3-dioxolane

(S_S)-(+)-2-(p-Tolylsulfinyl)prop-2-en-1-ol