Methyl 1-(4-bromophenyl)cyclopentane-1-carboxylate

Base Information

• Chemical Name: Methyl 1-(4-bromophenyl)cyclopentane-1-carboxylate
• CAS No.: 1236357-64-4
• Molecular Formula: C₁₃H₁₅BrO₂
• Molecular Weight: 283.165
• DSSTox Substance ID: DTXSID70695144
• Wikidata: Q82624205
• Mol file: 1236357-64-4.mol

Synonyms:1236357-64-4;methyl 1-(4-bromophenyl)cyclopentane-1-carboxylate;METHYL 1-(4-BROMOPHENYL)CYCLOPENTANECARBOXYLATE;1-(4-Bromophenyl)cyclopentanecarboxylic acid methyl ester;1-(4-Bromo-phenyl)-cyclopentanecarboxylic acid methyl ester;SCHEMBL3054538;DTXSID70695144;KIYRMNOQZGCLMC-UHFFFAOYSA-N;MFCD18711571;AS-36037;CS-0172494;A927570;Methyl1-(4-bromophenyl)cyclopentane-1-carboxylate;METHYL1-(4-BROMOPHENYL)CYCLOPENTANECARBOXYLATE

Chemical Property of Methyl 1-(4-bromophenyl)cyclopentane-1-carboxylate

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 282.02554
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

Methyl1-(4-Bromophenyl)cyclopentanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1(CCCC1)C2=CC=C(C=C2)Br

Technology Process of Methyl 1-(4-bromophenyl)cyclopentane-1-carboxylate

There total 3 articles about Methyl 1-(4-bromophenyl)cyclopentane-1-carboxylate 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: 32.0%

1,4-dibromo-butane (110-52-1) + (4-bromo-phenyl)-acetic acid methyl ester (41841-16-1) → methyl 1-(4-bromophenyl)cyclopentanecarboxylate (1236357-64-4)

Guidance literature:

(4-bromo-phenyl)-acetic acid methyl ester; With lithium hexamethyldisilazane; In tetrahydrofuran; at 0 ℃; for 0.166667h;

1,4-dibromo-butane; In tetrahydrofuran; at 24 ℃; for 24h;

Reference yield:

(4-bromo-phenyl)-acetic acid methyl ester (41841-16-1) → methyl 1-(4-bromophenyl)cyclopentanecarboxylate (1236357-64-4)

Guidance literature:

(4-bromo-phenyl)-acetic acid methyl ester; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃;

In tetrahydrofuran; mineral oil; at 0 - 50 ℃; for 18.1667h;

DOI:10.1021/acs.jmedchem.0c00230

Reference yield:

2-(4-bromophenyl)-acetic acid (1878-68-8) → methyl 1-(4-bromophenyl)cyclopentanecarboxylate (1236357-64-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: thionyl chloride / 16 h / 20 °C

2.1: sodium hydride / tetrahydrofuran / 0.5 h / 0 °C

2.2: 20 °C

With thionyl chloride; sodium hydride; In tetrahydrofuran;

upstream raw materials:

2-(4-bromophenyl)-acetic acid

1,4-dibromo-butane

(4-bromo-phenyl)-acetic acid methyl ester

Downstream raw materials:

C₃₂H₃₂N₂O₄S

C₃₁H₃₀N₂O₄S

C₃₁H₂₉N₂O₄S^(1-)*Na⁽¹⁺⁾

1-(4-bromophenyl)cyclopentanecarboxylic acid

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