tert-Butyl 2-bromopropanoate

Base Information

• Chemical Name: tert-Butyl 2-bromopropanoate
• CAS No.: 39149-80-9
• Molecular Formula: C₇H₁₃BrO₂
• Molecular Weight: 209.083
• Hs Code.: 2915900090
• European Community (EC) Number: 675-664-3
• DSSTox Substance ID: DTXSID40337887
• Nikkaji Number: J208.135K
• Mol file: 39149-80-9.mol

Synonyms:tert-Butyl 2-bromopropanoate;39149-80-9;2-Bromopropionic acid tert-butyl ester;tert-Butyl 2-Bromopropionate;t-butyl 2-bromopropionate;Propanoic acid, 2-bromo-, 1,1-dimethylethyl ester;MFCD00043897;2-bromo-propionic acid tert-butyl ester;tert-butyl2-bromopropanoate;t-butyl bromopropionate;tert-butyl bromopropionate;t-butyl 2-bromopropanoate;tert-butyl 2-bromopropanate;tert-butyl-2-bromopropionate;SCHEMBL162214;2-bromopropionate t-butyl ester;tert-Butyl 2-bromopropanoate #;CVAWKJKISIPBOD-UHFFFAOYSA-;DTXSID40337887;2-bromopropionic acid t-butyl ester;bromopropionic acid tert-butyl ester;1,1-dimethylethyl 2-bromopropanoate;1,1-dimethylethyl 2-bromopropionate;2-bromopropionic acid tert-butylester;AKOS015902266;2-Bromopropionic acid tert-butyl-ester;SB74528;2-Bromo-propanoic acid tert-butyl ester;2-bromopropionic acid, tert-butyl ester;AS-30233;SY052208;tert-Butyl 2-bromopropanoate, AldrichCPR;B1277;FT-0639530;EN300-82142;(+/-) 2-Bromopropionic acid tert-butyl ester;A854264

Chemical Property of tert-Butyl 2-bromopropanoate

Chemical Property:

• Vapor Pressure: 1.49mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 170.2 °C at 760 mmHg
• Flash Point: 63.3 °C
• PSA: 26.30000
• Density: 1.297 g/cm³
• LogP: 2.11150
• Storage Temp.: Refrigerator
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 208.00989
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99.9% ^*data from raw suppliers

tert-Butyl2-Bromopropanoate ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC(C)(C)C)Br
• Uses: tert-Butyl 2-Bromopropanoate is a reactant used in the synthesis 3-(1-Aryl-1H-indol-5-yl)propanoic Acids as cytosolic phospholipase A2α inhibitors.

Technology Process of tert-Butyl 2-bromopropanoate

There total 7 articles about tert-Butyl 2-bromopropanoate 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: 84.0%

α-bromopropionyl bromide (563-76-8) + tert-butyl alcohol (75-65-0) → tert-butyl 2-bromopropionate (39149-80-9,54631-38-8,98104-35-9,32821-07-1)

Guidance literature:

With pyridine; In diethyl ether; Inert atmosphere;

DOI:10.1016/j.tetasy.2012.05.006

Reference yield: 82.0%

2-Bromopropionic acid (598-72-1,10327-08-9) + isobutene (115-11-7,15220-85-6) → tert-butyl 2-bromopropionate (39149-80-9,54631-38-8,98104-35-9,32821-07-1)

Guidance literature:

With sulfuric acid; In dichloromethane; for 18h; Ambient temperature;

DOI:10.1021/jm00155a032

Reference yield: 54.0%

2-Bromopropionic acid (598-72-1,10327-08-9) + tert-butyl alcohol (75-65-0) → tert-butyl 2-bromopropionate (39149-80-9,54631-38-8,98104-35-9,32821-07-1)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In diethyl ether; at 25 ℃; for 3h; Inert atmosphere;

DOI:10.1021/ja5109084

upstream raw materials:

2-Bromopropionyl chloride

tert-butyl alcohol

α-bromopropionyl bromide

2-Bromopropionic acid

Downstream raw materials:

C₁₄H₁₉NO₃

N-Benzyloxy-DL-alanin-tert.butylester

(S)-(+)-2-(N-Cbz-L-valyloxy)propionic acid

DL-Carbobenzoxy-valinyl-milchsaeure-O-tert.-butylester