(Iodomethyl)cyclopropane

Base Information

• Chemical Name: (Iodomethyl)cyclopropane
• CAS No.: 33574-02-6
• Molecular Formula: C4H7I
• Molecular Weight: 182.004
• Hs Code.: 2903890090
• European Community (EC) Number: 632-599-5
• DSSTox Substance ID: DTXSID00376696
• Nikkaji Number: J1.297.344F
• Wikidata: Q72483916
• Mol file: 33574-02-6.mol

Synonyms:(IODOMETHYL)CYCLOPROPANE;33574-02-6;Iodomethylcyclopropane;Cyclopropylmethyl iodide;Cyclopropane, (iodomethyl)-;MFCD06410734;Iodomethylcyclopropane over Cu;SCHEMBL171373;AMY6123;DTXSID00376696;JHKJQWFHNIOUKY-UHFFFAOYSA-N;AKOS006283240;AS-9979;PB42571;SY266775;(Iodomethyl)cyclopropane, >=96.0% (GC);CS-0056033;FT-0763805;EN300-211415;P19124;(Iodomethyl)cyclopropane, 95% (stab. with copper)

Chemical Property of (Iodomethyl)cyclopropane

Chemical Property:

• Vapor Pressure: 7.25mmHg at 25°C
• Melting Point: 88-90℃
• Refractive Index: 1.542
• Boiling Point: 141.7 °C at 760 mmHg
• Flash Point: 56.8 °C
• PSA: 0.00000
• Density: 1.954 g/cm³
• LogP: 1.83140
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 181.95925
• Heavy Atom Count: 5
• Complexity: 30.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

(Iodomethyl)cyclopropane ≥95.0% (GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC1CI
• Uses: (Iodomethyl)cyclopropane is used as pharmaceutical intermediate.

Technology Process of (Iodomethyl)cyclopropane

There total 2 articles about (Iodomethyl)cyclopropane 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:

bicyclo[1.1.0]butane (157-33-5) → 4-iodobut-1-ene (7766-51-0) + cyclobutyl iodide (38557-29-8) + cyclopropylmethyl iodide (33574-02-6)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; mercury(II) iodide; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) CH₂Cl₂;

DOI:10.1007/BF00949949

Reference yield:

Cyclopropylmethanol (2516-33-8) → 4-iodobut-1-ene (7766-51-0) + cyclopropylmethyl iodide (33574-02-6)

Guidance literature:

With diphosphorus tetraiodide; In dichloromethane; at 20 ℃; for 20h; Yield given. Yields of byproduct given;

DOI:10.1039/c39830000229

Reference yield: 95.0%

cyclopropylmethyl iodide (33574-02-6) + benzeneacetic acid methyl ester (101-41-7) → methyl 3-cyclopropyl-2-phenylpropanoate

Guidance literature:

benzeneacetic acid methyl ester; With lithium diisopropyl amide; In tetrahydrofuran; at -78 - -60 ℃; for 1h;

cyclopropylmethyl iodide; In tetrahydrofuran; at -78 - 20 ℃; for 3.5h;

upstream raw materials:

Cyclopropylmethanol

bicyclo[1.1.0]butane

Downstream raw materials:

1,2,3,4-tetrabromobutane

buta-1,3-diene

1,1-Diphenyl-2-cyclopropyl-aethanol

2-cyclopropyl-1-phenylethanone

Refernces

• 1、 Abramova, N. M.,Zotova, S. V.,Nesmeyanova, O. A.. "ELECTROPHILIC ADDITION TO BICYCLOBUTANE>". . p. 961 - 964. Retrieved 2007/10/02.