(2S)-2-bromo-3-hydroxypropanoic acid

Base Information

• Chemical Name: (2S)-2-bromo-3-hydroxypropanoic acid
• CAS No.: 70671-46-4
• Molecular Formula: C3H5BrO3
• Molecular Weight: 168.975
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID50549090
• Nikkaji Number: J2.902.798F
• Wikidata: Q72456989
• Mol file: 70671-46-4.mol

Synonyms:70671-46-4;(2S)-2-bromo-3-hydroxypropanoic acid;(S)-2-bromo-3-hydroxypropanoic acid;(S)-(-)-2-Bromo-3-hydroxypropanoicacid;(S)-(-)-2-BROMO-3-HYDROXYPROPANOIC ACID;(2S)-2-Bromo-3-hydroxy-propanoic acid;MFCD09751078;Propanoic acid, 2-bromo-3-hydroxy-, (2S)-;SCHEMBL526251;DTXSID50549090;OIODSHQRJGRDLE-REOHCLBHSA-N;2-(S)-bromo-3-hydroxypropionic acid;AKOS006329440;AB10178;CS-0099808;EN300-1084754;A836956

Chemical Property of (2S)-2-bromo-3-hydroxypropanoic acid

Chemical Property:

• Boiling Point: 311.3±27.0 °C(Predicted)
• PKA: 2.49±0.10(Predicted)
• PSA: 57.53000
• Density: 2.017
• LogP: -0.17320
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.94221
• Heavy Atom Count: 7
• Complexity: 72.6

Purity/Quality:

99%, ^*data from raw suppliers

(S)-(-)-2-BROMO-3-HYDROXYPROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2S)-2-bromo-3-hydroxypropanoic acid

There total 5 articles about (2S)-2-bromo-3-hydroxypropanoic acid 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: 88.0%

L-serin (56-45-1,83245-15-2) → acide (S)-(-)-bromo-2 hydroxy-3 propionique (70671-46-4)

Guidance literature:

With hydrogen bromide; potassium bromide; sodium nitrite; In water; at -13 - 0 ℃; Inert atmosphere;

Reference yield: 82.0%

→ acide (S)-(-)-bromo-2 hydroxy-3 propionique (70671-46-4)

Guidance literature:

Reference yield:

D-Serine (312-84-5,83245-15-2) → acide (S)-(-)-bromo-2 hydroxy-3 propionique (70671-46-4)

Guidance literature:

With hydrogen bromide; potassium bromide; sodium nitrite; In water; at -12 - 0 ℃;

upstream raw materials:

D-Serine

L-serin

Downstream raw materials:

potassium de l'acide (S)-(-)-epoxy-2,3 propionique

(R)-(+)-2,3-epoxypropanoic acid benzyl ester

(2S)-N-benzyl-2-bromo-3-hydroxypropanamide

D-glyceric acid

Refernces

• 1、 Wojciechowski, Filip,Hudson, Robert H. E.. "Introduction of chirality into PNA by replacement of the achiral methylene carbonyl linkage to the nucleobase". . p. 1195 - 1198. Retrieved 2007.
• 2、 -. "SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME". Paragraph 0573. . Retrieved 2019/02/15.
• 3、 Zhang, Yu,Liu, Haidong,Tang, Luning,Tang, Hai-Jun,Wang, Lu,Zhu, Chuan,Feng, Chao. "Intermolecular Carboamination of Unactivated Alkenes". supporting information. p. 10695 - 10699. Retrieved 2018/09/06.