(2S)-2-chloro-3,3-dimethylbutanoic acid

Base Information

• Chemical Name: (2S)-2-chloro-3,3-dimethylbutanoic acid
• CAS No.: 32659-48-6
• Molecular Formula: C6H11ClO2
• Molecular Weight: 150.605
• DSSTox Substance ID: DTXSID50383552
• Nikkaji Number: J57.622K
• Wikidata: Q82175326
• Mol file: 32659-48-6.mol

Synonyms:32659-48-6;Butanoic acid, 2-chloro-3,3-dimethyl-, (S)-;(2S)-2-chloro-3,3-dimethylbutanoic acid;SCHEMBL20087693;DTXSID50383552;[S,(+)]-2-Chloro-3,3-dimethylbutyric acid

Chemical Property of (2S)-2-chloro-3,3-dimethylbutanoic acid

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.0447573
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2S)-2-chloro-3,3-dimethylbutanoic acid

There total 1 articles about (2S)-2-chloro-3,3-dimethylbutanoic 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:

L-tert-Leucine (20859-02-3) → (S)-3-hydroxy-2,3-dimethylbutansaeure (130062-37-2) + (R)-3-hydroxy-2,3-dimethylbutansaeure (23985-53-7,130014-09-4,130062-37-2) + (S)-2-hydroxy-3,3-dimethylbutanoic acid (21641-92-9,851866-86-9) + (S)-2-chloro-3,3-dimethylbutanoic acid (32659-48-6)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; 1) 7 h, -5 deg C - -3 deg C, 2) 18 h, 20 deg C - 25 deg C;

Reference yield:

(S)-2-chloro-3,3-dimethylbutanoic acid (32659-48-6) → (R)-tert-butyloxirane (2245-30-9,40102-55-4,62137-90-0,41796-67-2)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran; water / 0.5 h / 0 - 25 °C

2: potassium hydroxide / water / 0.17 h / 0 - 20 °C

With lithium aluminium tetrahydride; potassium hydroxide; In tetrahydrofuran; water;

Reference yield:

(S)-2-chloro-3,3-dimethylbutanoic acid (32659-48-6) → C13H20O3S

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium aluminium tetrahydride / tetrahydrofuran; water / 0.5 h / 0 - 25 °C

2.1: potassium hydroxide / water / 0.17 h / 0 - 20 °C

3.1: n-butyllithium / tetrahydrofuran / 0.5 h / -70 °C / Inert atmosphere

3.2: 12 h / 25 °C / Inert atmosphere

With lithium aluminium tetrahydride; n-butyllithium; potassium hydroxide; In tetrahydrofuran; water;

upstream raw materials:

L-tert-Leucine

Downstream raw materials:

(R)-tert-butyloxirane

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