methyl 1-cyanocyclobutanecarboxylate

Base Information

• Chemical Name: methyl 1-cyanocyclobutanecarboxylate
• CAS No.: 58920-79-9
• Molecular Formula: C7H9NO2
• Molecular Weight: 139.15
• Hs Code.: 2926909090
• Mol file: 58920-79-9.mol

Synonyms:methyl 1-cyanocyclobutanecarboxylate

Chemical Property of methyl 1-cyanocyclobutanecarboxylate

Chemical Property:

• Vapor Pressure: 0.0851mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 225.7°C at 760 mmHg
• Flash Point: 96.6°C
• PSA: 50.09000
• Density: 1.12g/cm³
• LogP: 0.85328

Purity/Quality:

98%min ^*data from raw suppliers

Methyl1-cyanocyclobutanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl 1-cyanocyclobutanecarboxylate is a carboxylate derivative and can be used as an organic reagent.

Technology Process of methyl 1-cyanocyclobutanecarboxylate

There total 1 articles about methyl 1-cyanocyclobutanecarboxylate 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: 62.85%

1,3-dibromo-propane (109-64-8) + methyl 2-cyanoacetate (105-34-0) → 1-Cyan-1-methoxycarbonyl-cyclobutan (58920-79-9)

Guidance literature:

methyl 2-cyanoacetate; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 10 - 50 ℃; for 0.25h;

1,3-dibromo-propane; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at -10 - 70 ℃; for 0.75h;

Reference yield:

1-Cyan-1-methoxycarbonyl-cyclobutan (58920-79-9) → 1-(<<(ter-butoxy)carbonyl>amino>methyl)cyclobutane-1-carboxylic acid (220145-21-1)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Raney-Ni / methanol / 22 h / 40 °C / 3000.24 Torr

2: 1N NaOH / methanol / 5 h / Heating

3: 36 percent / H₂O; dioxane / 24 h / Ambient temperature

With sodium hydroxide; hydrogen; nickel; In 1,4-dioxane; methanol; water;

DOI:10.1002/(SICI)1522-2675(19981216)81:12<2218::AID-HLCA2218>3.0.CO;2-0

upstream raw materials:

1,3-dibromo-propane

methyl 2-cyanoacetate

Downstream raw materials:

1-(<<(ter-butoxy)carbonyl>amino>methyl)cyclobutane-1-carboxylic acid

Refernces

• 1、 Chang, Ya-Hui,Chen, Chiao-Yun,Singh, Gyan,Chen, Hsing-Yin,Liu, Gin-Chung,Goan, Yih-Gang,Aime, Silvio,Wang, Yun-Ming. "Synthesis and physicochemical characterization of carbon backbone modified [Gd(TTDA)(H2O)]2- derivatives". experimental part. p. 1275 - 1287. Retrieved 2011/04/22.