Methyl 2-[1-(bromomethyl)cyclopropyl]acetate

Base Information

• Chemical Name: Methyl 2-[1-(bromomethyl)cyclopropyl]acetate
• CAS No.: 855473-50-6
• Molecular Formula: C7H11BrO2
• Molecular Weight: 207.067
• DSSTox Substance ID: DTXSID701269909
• Mol file: 855473-50-6.mol

Synonyms:855473-50-6;methyl 2-[1-(bromomethyl)cyclopropyl]acetate;Methyl 2-(1-(bromomethyl)cyclopropyl)acetate;(1-Bromomethyl-cyclopropyl)-acetic acid methyl ester;Methyl 2-(1-(broMoMethyl)cyclopropyl) acetate;MFCD24458913;SCHEMBL1132780;PNDWPPJIBOBEOE-UHFFFAOYSA-N;2-(1-BROMOMETHYLCYCLOPROPYL)ACETIC ACID METHYL ESTER;DTXSID701269909;AMY35313;BCP30342;AKOS027327263;SB39061;Methyl 1-(bromomethyl)cyclopropaneacetate;AS-53820;SY099297;methyl 1-(bromomethyl)-cyclopropaneacetate;CS-0049186;Methyl2-(1-(bromomethyl)cyclopropyl)acetate;EN300-200692;P17162;A851000

Chemical Property of Methyl 2-[1-(bromomethyl)cyclopropyl]acetate

Chemical Property:

• Boiling Point: 211℃
• Flash Point: 103℃
• PSA: 26.30000
• Density: 1.443
• LogP: 1.72460
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 205.99424
• Heavy Atom Count: 10
• Complexity: 141

Purity/Quality:

99%, ^*data from raw suppliers

Methyl2-(1-Bromomethylcyclopropyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1(CC1)CBr
• Uses: Methyl 2-(1-Bromomethylcyclopropyl)acetate is a reactant in organic synthesis.

Technology Process of Methyl 2-[1-(bromomethyl)cyclopropyl]acetate

There total 4 articles about Methyl 2-[1-(bromomethyl)cyclopropyl]acetate 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: 96.0%

1-hydroxymethylcyclopropylacetic acid methyl ester (142148-13-8) → 1-bromomethylcyclopropyl acetic acid methyl ester (855473-50-6)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 - 20 ℃;

Reference yield:

(1-methanesulfonyloxymethyl-cyclopropyl)-acetic acid methyl ester → 1-bromomethylcyclopropyl acetic acid methyl ester (855473-50-6)

Guidance literature:

With lithium bromide; In tetrahydrofuran; at 20 ℃;

Reference yield:

[1-(hydroxymethyl)cyclopropyl]methanol (39590-81-3) → 1-bromomethylcyclopropyl acetic acid methyl ester (855473-50-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulphate-doped anatase / tetrahydrofuran / 45 - 55 °C

2.1: isobutyric acid sodium salt / tetrahydrofuran / 10 - 20 °C / Inert atmosphere

2.2: 0.5 h

3.1: phosphorus tribromide / dichloromethane / 0 - 20 °C

With sulphate-doped anatase; phosphorus tribromide; isobutyric acid sodium salt; In tetrahydrofuran; dichloromethane;

upstream raw materials:

[1-(hydroxymethyl)cyclopropyl]methanol

1-hydroxymethylcyclopropylacetic acid methyl ester

Downstream raw materials:

methyl 2-[3-(R)-(3-bromophenyl)-3-(1-methoxycarbonylmethyl-cyclopropylmethylsulfanyl)-propyl]-benzoate

(1-{1-(R)-(E)-{3-[2-(7-chloro-quinolin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid diisobutylamine salt

1-(hydroxymethyl)cyclopropaneacetonitrile

2-(1-(bromomethyl)cyclopropyl)acetonitrile

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