Crotonic acid, 2-bromo-

Base Information

• Chemical Name: Crotonic acid, 2-bromo-
• CAS No.: 27243-23-8
• Molecular Formula: C4H5 Br O2
• Molecular Weight: 164.986
• European Community (EC) Number: 633-020-9
• NSC Number: 159403,8107
• Nikkaji Number: J39.000C
• Wikidata: Q76303400
• Metabolomics Workbench ID: 1718
• Mol file: 27243-23-8.mol

Synonyms:Crotonic acid, 2-bromo-;(Z)-2-bromobut-2-enoic acid;5405-34-5;alpha-Bromocrotonic acid;2-Butenoic acid, 2-bromo-;2-bromo-2-butenoic acid;2-bromobut-2-enoic acid;(Z)-2-Bromo-2-butenoic acid;(2Z)-2-bromobut-2-enoic acid;27243-23-8;2-BROMOCROTONIC ACID;bromocrotonic acid;bromo-crotonic acid;.alpha.-Bromocrotonic acid;SCHEMBL27282;SCHEMBL27283;NSC8107;YKIKDQYYTAOTPL-IHWYPQMZSA-N;NSC-8107;LMFA01090029;MFCD00154334;NSC159403;AKOS022636910;NSC-159403

Chemical Property of Crotonic acid, 2-bromo-

Chemical Property:

• Vapor Pressure: 0.0129mmHg at 25°C
• Boiling Point: 240.2°Cat760mmHg
• Flash Point: 99°C
• PSA: 37.30000
• Density: 1.722g/cm³
• LogP: 1.36970
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.94729
• Heavy Atom Count: 7
• Complexity: 106

Purity/Quality:

99%min ^*data from raw suppliers

2-BROMO-2-BUTENOIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC=C(C(=O)O)Br
• Isomeric SMILES: C/C=C(/C(=O)O)\Br

Technology Process of Crotonic acid, 2-bromo-

There total 4 articles about Crotonic acid, 2-bromo- 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:

2,3-dibromobutanoic acid (600-30-6) → 1-bromo-1-propene (590-14-7) + α-bromocrotonic acid (27243-23-8)

Guidance literature:

With pyridine;

DOI:10.1021/ja01310a033

Reference yield:

pyridine (110-86-1) + 2,3-dibromobutanoic acid (600-30-6) → 1-bromo-1-propene (590-14-7) + α-bromocrotonic acid (27243-23-8)

Guidance literature:

2.3-dibromo-butyric acid of melting point 87 degree;

DOI:10.1021/ja01310a033

Reference yield:

pyridine (110-86-1) + 2,3-dibromobutanoic acid (600-30-6) → 1-bromo-1-propene (590-14-7) + α-bromocrotonic acid (27243-23-8)

Guidance literature:

2.3-dibromo-butyric acid of melting point 87 degree;

DOI:10.1021/ja01310a033

upstream raw materials:

pyridine

2,3-dibromobutanoic acid

diethyl bis(hydroxymethyl)malonate

Downstream raw materials:

(E)-benzyl 2-bromocrotonate

(Z)-benzyl 2-bromocrotonate

2,3-dipiperidino-butyric acid