Ethyl 2,3-dibromobutyrate

Base Information

• Chemical Name: Ethyl 2,3-dibromobutyrate
• CAS No.: 609-11-0
• Molecular Formula: C6H10 Br2 O2
• Molecular Weight: 273.952
• Hs Code.: 2915900090
• European Community (EC) Number: 210-177-8
• NSC Number: 83552
• DSSTox Substance ID: DTXSID60870680
• Nikkaji Number: J130.905F
• Mol file: 609-11-0.mol

Synonyms:Ethyl 2,3-dibromobutyrate;609-11-0;Ethyl 2,3-dibromobutanoate;2,3-Dibromobutyric Acid Ethyl Ester;2,3-dibromo-n-butyric acid ethyl ester;Butyric acid, 2,3-dibromo-, ethyl ester;Butanoic acid, 2,3-dibromo-, ethyl ester;EINECS 210-177-8;NSC 83552;MFCD00017863;ethyl a,b-dibromobutyrate;Ethyl-2,3-dibromo butyrate;SCHEMBL9834260;DTXSID60870680;NSC83552;NSC-83552;Ethyl .alpha.,.beta.-dibromobutyrate;AKOS024319084;Butyric acid,3-dibromo-, ethyl ester;Butanoic acid,3-dibromo-, ethyl ester;BS-52918;CS-0181787;D2612;FT-0609520;D90090;(3,4-DIMETHOXY-BENZYL)-PHOSPHONICACIDDIETHYLESTER

Chemical Property of Ethyl 2,3-dibromobutyrate

Chemical Property:

• Vapor Pressure: 0.0809mmHg at 25°C
• Melting Point: 58.5°C
• Refractive Index: 1.4940-1.4970
• Boiling Point: 104 °C / 17mmHg
• Flash Point: 90.9°C
• PSA: 26.30000
• Density: 1,69 g/cm3
• LogP: 2.09640
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 273.90271
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

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

Ethyl 2,3-Dibromobutyrate >95.0%(GC) ^*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: CCOC(=O)C(C(C)Br)Br

Technology Process of Ethyl 2,3-dibromobutyrate

There total 10 articles about Ethyl 2,3-dibromobutyrate 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%

ethyl crotonate (10544-63-5) → ethyl 2,3-dibromobutyrate (609-11-0)

Guidance literature:

With bromine; In chloroform; at 0 ℃;

DOI:10.1021/jm00160a023

Reference yield: 98.0%

ethyl (E)-crotonate (623-70-1) → ethyl 2,3-dibromobutyrate (609-11-0)

Guidance literature:

With bromine; In tetrachloromethane; for 2h; Heating;

DOI:10.1021/jo981568h

Reference yield: 68.0%

ethyl (E)-crotonate (623-70-1) → Ethyl 2-Bromo-3-hydroxybutanoate (62317-34-4,143024-31-1,151153-54-7) + (+/-)-erythro-2,3-dibromo-butyric acid ethyl ester (609-11-0)

Guidance literature:

With N-Bromosuccinimide; water; In tetrahydrofuran; at 25 ℃;

DOI:10.1016/S0040-4020(01)80402-6

upstream raw materials:

ethyl crotonate

ethyl (E)-crotonate

ethyl (Z)-crotonate

2-bromobutyric acid ethyl ester

Downstream raw materials:

(+/-)-3t-methyl-cyclopropane-1,1,2r-tricarboxylic acid

ethyl crotonate

ethyl 2,3-bis<(benzoylthio)acetamido>butanoate

ethyl 2,3-bis<(benzoylthio)acetamido>butanoate

Refernces

• 1、 Murphy, John A.,Scott, Karen A.,Sinclair, Rhoha S.,Martin, Concepcion Gonzalez,Kennedy, Alan R.,Lewis, Norman. "A radical based addition-elimination route for the preparation of indoles". . p. 2395 - 2408. Retrieved 2007/10/03.
• 2、 Murphy, John A.,Scott, Karen A.,Sinclair, Rhona S.,Lewis, Norman. "A new synthesis of indoles". . p. 7295 - 7298. Retrieved 2007/10/03.