tert-butyl (2S)-2-bromopropanoate

Base Information

• Chemical Name: tert-butyl (2S)-2-bromopropanoate
• CAS No.: 98104-35-9
• Molecular Formula: C7H13BrO2
• Molecular Weight: 209.083
• European Community (EC) Number: 969-705-7
• Nikkaji Number: J2.515.868G

Synonyms:SCHEMBL6207655;tert-butyl (2S)-2-bromopropanoate;(R,S)-2-Bromo-propionic acid tert-butyl ester;EN300-7662425;98104-35-9

Chemical Property of tert-butyl (2S)-2-bromopropanoate

Chemical Property:

• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)OC(C)(C)C)Br
• Isomeric SMILES: C[C@@H](C(=O)OC(C)(C)C)Br

Technology Process of tert-butyl (2S)-2-bromopropanoate

There total 9 articles about tert-butyl (2S)-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: 83.0%

tert-butyl 2-bromopropionate (39149-80-9,54631-38-8,98104-35-9,32821-07-1) + (3S)-N,N'-bis-(p-methoxybenzyl)-3-isopropyl-piperazine-2,5-dione (205517-34-6) → (R)-tert-butyl 2-bromopropanoate (54631-38-8) + tert-butyl S-α-bromopropionate (98104-35-9) + (S)-2-[(2R,5S)-5-Isopropyl-1,4-bis-(4-methoxy-benzyl)-3,6-dioxo-piperazin-2-yl]-propionic acid tert-butyl ester + (R)-2-[(2R,5S)-5-Isopropyl-1,4-bis-(4-methoxy-benzyl)-3,6-dioxo-piperazin-2-yl]-propionic acid tert-butyl ester

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1016/j.tet.2006.05.033

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

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

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