Cyclopropanecarboxylic acid, 2,2-dichloro-3-phenyl-, (1S,3S)-

Base Information

• Chemical Name: Cyclopropanecarboxylic acid, 2,2-dichloro-3-phenyl-, (1S,3S)-
• CAS No.: 646995-47-3
• Molecular Formula: C10H8Cl2O2
• Molecular Weight: 231.078
• DSSTox Substance ID: DTXSID60466188
• Nikkaji Number: J1.927.477B
• Wikidata: Q82292689

Synonyms:646995-47-3;Cyclopropanecarboxylic acid, 2,2-dichloro-3-phenyl-, (1S,3S)-;DTXSID60466188

Chemical Property of Cyclopropanecarboxylic acid, 2,2-dichloro-3-phenyl-, (1S,3S)-

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.9901349
• Heavy Atom Count: 14
• Complexity: 247

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C(C2(Cl)Cl)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](C2(Cl)Cl)C(=O)O

Technology Process of Cyclopropanecarboxylic acid, 2,2-dichloro-3-phenyl-, (1S,3S)-

There total 8 articles about Cyclopropanecarboxylic acid, 2,2-dichloro-3-phenyl-, (1S,3S)- 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: 49.0%

(+/-)-trans-2,2-dichloro-3-phenylcyclopropanecarboxamide → (+)-(1R,3R)-2,2-dichloro-3-phenylcyclopropanecarboxylic acid (646995-57-5) + (-)-(1S,3S)-2,2-dichloro-3-phenylcyclopropanecarboxylic acid (646995-47-3) + (+)-(1R,3R)-2,2-dichloro-3-phenylcyclopropanecarboxyamide (646995-54-2)

Guidance literature:

With potassium phosphate buffer; Rhodococcus sp. AJ₂₇₀ cells; at 30 ℃; for 8h; pH=7.0;

DOI:10.1016/j.tetasy.2003.11.016

Reference yield:

(+/-)-trans-2,2-dichloro-3-phenylcyclopropanecarbonitrile → (+)-(1R,3R)-2,2-dichloro-3-phenylcyclopropanecarboxylic acid (646995-57-5) + (-)-(1S,3S)-2,2-dichloro-3-phenylcyclopropanecarboxylic acid (646995-47-3)

Guidance literature:

With amidase from Rhodococcus sp. AJ₂₇₀ cells; nitrile hydratase; In phosphate buffer; at 30 ℃; for 168h; pH=7.0; Title compound not separated from byproducts.;

DOI:10.1002/adsc.200303020

Reference yield:

(+/-)-trans-2,2-dichloro-3-phenylcyclopropanecarbonitrile → (+)-(1R,3R)-2,2-dichloro-3-phenylcyclopropanecarboxylic acid (646995-57-5) + (-)-(1S,3S)-2,2-dichloro-3-phenylcyclopropanecarboxylic acid (646995-47-3) + (+)-(1R,3R)-2,2-dichloro-3-phenylcyclopropanecarbonitrile + (-)-(1S,3S)-2,2-dichloro-3-phenylcyclopropanecarbonitrile

Guidance literature:

With potassium phosphate buffer; Rhodococcus sp. AJ₂₇₀ cells; at 30 ℃; for 168h; pH=7.0; Title compound not separated from byproducts;

DOI:10.1016/j.tetasy.2003.11.016

upstream raw materials:

trans-cinnamaldehyde diethylacetal

3-phenyl-1-formyl-2,2-dichlorocyclopropane

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