(1S-trans)-2-Fluorocyclopropanecarbonyl chloride

Base Information

• Chemical Name: (1S-trans)-2-Fluorocyclopropanecarbonyl chloride
• CAS No.: 185225-82-5
• Molecular Formula: C₄H₄ClFO
• Molecular Weight: 122.527
• DSSTox Substance ID: DTXSID40452423
• Wikidata: Q82273051
• Mol file: 185225-82-5.mol

Synonyms:185225-82-5;(1S-TRANS)-2-FLUOROCYCLOPROPANECARBONYL CHLORIDE;(1S,2S)-2-fluorocyclopropane-1-carbonyl Chloride;Cyclopropanecarbonylchloride, 2-fluoro-, (1S-trans)- (9CI);SCHEMBL20519893;DTXSID40452423;AKOS006285902;(1S,2S)-2-fluorocyclopropanecarbonyl chloride

Chemical Property of (1S-trans)-2-Fluorocyclopropanecarbonyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 1.10980
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.9934706
• Heavy Atom Count: 7
• Complexity: 104

Purity/Quality:

99%min ^*data from raw suppliers

(1S-TRANS)-2-FLUOROCYCLOPROPANECARBONYL CHLORIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:
• Hazard Codes: R34:
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C1F)C(=O)Cl
• Isomeric SMILES: C1[C@@H]([C@H]1F)C(=O)Cl

Technology Process of (1S-trans)-2-Fluorocyclopropanecarbonyl chloride

There total 4 articles about (1S-trans)-2-Fluorocyclopropanecarbonyl chloride 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: 98.0%

(1R,2R)-(-)-cis-2-fluoro-cyclopropanecarboxylic acid (127199-13-7,167073-07-6,167073-08-7) → cis-2-fluorocyclopropanoyl chloride (185225-82-5)

Guidance literature:

With thionyl chloride; at 75 ℃; for 1h; Inert atmosphere;

Reference yield:

(±)-cis-2-fluorocyclopropanecarboxylic acid (167073-07-6,167073-08-7) → (±)-cis-2- fluorocyclopropanecarbonyl chloride (185225-82-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

(1S,2S)-2-fluorocyclopropane-1-carboxylic acid (127199-14-8,167073-07-6,167073-08-7) → (1R,2S)-2-fluorocyclopropane carbonyl chloride (185225-82-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

(±)-cis-2-fluorocyclopropanecarboxylic acid

(1S,2S)-2-fluorocyclopropane-1-carboxylic acid

(+/-)-trans-2-fluorocyclopropanecarboxylic acid

(1R,2R)-(-)-cis-2-fluoro-cyclopropanecarboxylic acid

Refernces

• 1、 -. "CINNOLINE COMPOUNDS AND FOR THE TREATMENT OF HPK1-DEPENDENT DISORDERS SUCH AS CANCER". Paragraph 0270-0271. . Retrieved 2020/05/12.
• 2、 -. "5-PHENYLAZAINDOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT". Paragraph 0311-0312. . Retrieved 2019/01/11.