Methyl 4-bromocrotonate

Base Information Edit

Chemical Name:Methyl 4-bromocrotonate
CAS No.:6000-00-6
Molecular Formula:C₅H₇BrO₂
Molecular Weight:179.013
Hs Code.:29161900
European Community (EC) Number:214-251-0,629-529-0
NSC Number:77073
DSSTox Substance ID:DTXSID601304209
Nikkaji Number:J149.921A,J48.573J
Wikidata:Q76305518
ChEMBL ID:CHEMBL3273389
Mol file:6000-00-6.mol

Synonyms:Methyl 4-bromocrotonate;1117-71-1;6000-00-6;(E)-Methyl 4-bromobut-2-enoate;4-Bromocrotonic Acid Methyl Ester;methyl (E)-4-bromobut-2-enoate;methyl 4-bromobut-2-enoate;Methyl bromocrotonate;Methyl trans-4-bromo-2-butenoate;Methyl gamma-bromocrotonate;Methyl 4-bromo-2-butenoate;methyl (2E)-4-bromobut-2-enoate;methyl (E)-4-bromo-2-butenoate;CROTONIC ACID, 4-BROMO-, METHYL ESTER;Methyl 4-bromocrotonate, tech grade;EINECS 214-251-0;MFCD00000246;NSC 77073;BRN 1745755;Methyl .gamma.-bromocrotonate;2-Butenoic acid, 4-bromo-, methyl ester;2-Butenoic acid, 4-bromo-, methyl ester, (2E)-;4-Bromo-2-butenoic acid methyl ester;methyl4-bromocrotonate;methyl-4-bromocrotonate;Methyl trans-4-bromocrotonate;methyl-4-bromcrotonat;methyl 4-bromocrotoriate;methyl 4-bromo-crotonate;trans-4-Bromo-2-butenoic Acid Methyl Ester;methyl4-bromobut-2-enoate;SCHEMBL25768;SCHEMBL25769;WLN: E2U1VO1;Methyl 4-bromocrotonate, tech.;4-Bromo-2-butenoic acid methyl;CHEMBL3273389;RWIKCBHOVNDESJ-NSCUHMNNSA-;DTXSID601304209;AMY14793;BCP09298;Methyl (2E)-4-bromo-2-butenoate;Methyl-(2E)-4-bromobut-2-enoate;NSC77073;methyl (E)-4-bromanylbut-2-enoate;BBL011112;NSC-77073;STK802365;AKOS005622672;CS-W008761;(E)-4-Bromo-2-butenoic acid methylester;AS-17533;BP-20396;LS-55555;(E)-4-bromo-2-butenoic acid methyl ester;(e)-4-bromo-but-2-enoic acid methyl ester;M1689;EN300-49992;EN300-658977;F11439;Methyl 4-bromocrotonate, 85%, technical grade;O11933;A802410;W-108668;F0001-0253;Methyl trans-4-bromo-2-butenoate, technical, >=90% (GC);InChI=1/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+

Suppliers and Price of Methyl 4-bromocrotonate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
(E)-Methyl4-bromobut-2-enoate 90%
10g
$ 188.00

Crysdot
(E)-Methyl4-bromobut-2-enoate 90%
25g
$ 309.00

Matrix Scientific
(E)-Methyl 4-bromobut-2-enoate 90%
5g
$ 65.00

Matrix Scientific
(E)-Methyl 4-bromobut-2-enoate 90%
25g
$ 185.00

Sigma-Aldrich
Methyl trans-4-bromo-2-butenoate technical, ≥90% (GC)
5ml
$ 121.00

Sigma-Aldrich
Methyl trans-4-bromo-2-butenoate technical, ≥90% (GC)
25ml
$ 378.00

TRC
Methyltrans-4-Bromo-2-butenoate(>85%)
25g
$ 450.00

Total 24 raw suppliers

Chemical Property of Methyl 4-bromocrotonate Edit

Chemical Property:

Melting Point:83-85℃
Refractive Index:n20/D 1.501
Boiling Point:198.5 °C at 760 mmHg
Flash Point:67.4 °C
PSA：26.30000
Density:1.475 g/cm³
LogP:1.11050
Storage Temp.:2-8°C
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:177.96294
Heavy Atom Count:8
Complexity:98.6

Purity/Quality:

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

(E)-Methyl4-bromobut-2-enoate 90% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 37/38-41-36/37/38
Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Halogenated Esters
Canonical SMILES:COC(=O)C=CCBr
Isomeric SMILES:COC(=O)/C=C/CBr
Uses Methyl trans-4-Bromo-2-butenoate is used as a reagent in the synthesis of several organic compounds including that of dimethoxy ketals and ketones via electrochemical oxidative decarboxylation of malonic acids. Methyl trans-4-bromo-2-butenoate (Methyl 4-bromocrotonate) was used in the synthesis of highly substituted benzoxepines or benzopyrans and L-α-amino [4,5-3H]adipic acid.

Technology Process of Methyl 4-bromocrotonate

There total 16 articles about Methyl 4-bromocrotonate 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: 93.1%