Propanoyl chloride, 2-chloro-, (2R)-

Base Information

• Chemical Name: Propanoyl chloride, 2-chloro-, (2R)-
• CAS No.: 70110-25-7
• Molecular Formula: C3H4Cl2O
• Molecular Weight: 126.97
• European Community (EC) Number: 820-321-7
• DSSTox Substance ID: DTXSID70426495
• Nikkaji Number: J60.586G
• Wikidata: Q82239397
• Mol file: 70110-25-7.mol

Synonyms:70110-25-7;Propanoyl chloride, 2-chloro-, (2R)-;(R)-2-chloropropionyl chloride;(2R)-2-CHLOROPROPANOYL CHLORIDE;SCHEMBL1066789;DTXSID70426495;(2R)-2-Chloropropionyl Chloride;JEQDSBVHLKBEIZ-UWTATZPHSA-N;[R,(?)]-2-Chloropropionyl chloride;(2R)-2-CHLOROPROPANOYLCHLORIDE;EN300-338473

Chemical Property of Propanoyl chloride, 2-chloro-, (2R)-

Chemical Property:

• Boiling Point: 110.1±13.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.291±0.06 g/cm3(Predicted)
• LogP: 1.37910
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 125.9639201
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propanoyl chloride, 2-chloro-, (2R)-

There total 6 articles about Propanoyl chloride, 2-chloro-, (2R)- 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: 91.9%

(R)-2-chloropropionic acid (7474-05-7) → (R)-(-)-2-chloropropionyl chloride (70110-25-7)

Guidance literature:

With thionyl chloride; at 2 - 52 ℃; for 7h; Temperature; Large scale;

Reference yield:

→ (R)-(-)-2-chloropropionyl chloride (70110-25-7)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

→ (R)-(-)-2-chloropropionyl chloride (70110-25-7)

Guidance literature:

With acetone; lithium chloride;

DOI:10.1039/jr9360000303

upstream raw materials:

D-Lactic acid

(R)-2-chloropropionic acid

(+)-2(S)-fluoropropionyl chloride

(2S)-2-(4-toluenesulfonyloxy)propionyl chloride

Downstream raw materials:

N-((R)-2-chloro-propionyl)-glycine

2-chloropropionyl-L-glutamine

N-[4-((S)-2-Chloro-propionyl)-phenyl]-acetamide

N-[4-((R)-2-Chloro-propionyl)-phenyl]-acetamide

Refernces

• 1、 Takiguchi, Hiromu,Higashi, Akinobu,Watanabe, Takashi,Takeichi, Tsubasa,Shimazaki, Takahisa,Inaba, Takashi. "Stereocontrolled Synthesis of Delgocitinib, a JAK Inhibitor for the Treatment of Atopic Dermatitis". . p. 342 - 348. Retrieved 2021/03/01.
• 2、 -. "Selective PI3Kdelta inhibitor and application thereof". Paragraph 0392-0394. . Retrieved 2020/07/02.