1-AMINO-CYCLOBUTANECARBOXYLIC ACID METHYL ESTER

Base Information

• Chemical Name: 1-AMINO-CYCLOBUTANECARBOXYLIC ACID METHYL ESTER
• CAS No.: 215597-35-6
• Molecular Formula: C6H11NO2
• Molecular Weight: 129.159
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID90363590
• Nikkaji Number: J2.158.003A
• Wikidata: Q72435160
• Mol file: 215597-35-6.mol

Synonyms:1-aminocyclobutyl carboxylic acid methyl ester; methyl 1-amino-cyclobutanecarboxylate; 1-AMINO-CYCLOBUTANECARBOXYLIC ACID METHYL ESTER;

Chemical Property of 1-AMINO-CYCLOBUTANECARBOXYLIC ACID METHYL ESTER

Chemical Property:

• Vapor Pressure: 0.194mmHg at 25°C
• Boiling Point: 162.311 °C at 760 mmHg
• PKA: 7.71±0.20(Predicted)
• Flash Point: 36.303 °C
• PSA: 52.32000
• Density: 1.127 g/cm³
• LogP: 0.74110
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 129.078978594
• Heavy Atom Count: 9
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

Methyl1-aminocyclobutanecarboxylate 95%-98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1(CCC1)N

Technology Process of 1-AMINO-CYCLOBUTANECARBOXYLIC ACID METHYL ESTER

There total 8 articles about 1-AMINO-CYCLOBUTANECARBOXYLIC ACID METHYL ESTER 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: 98.0%

methyl 1-azidocyclobutane-1-carboxylate (851662-64-1) → methyl 1-aminocyclobutanecarboxylate (215597-35-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1016/j.tetlet.2005.02.111

Reference yield: 83.0%

→ methyl 1-aminocyclobutanecarboxylate (215597-35-6)

Guidance literature:

Reference yield: 76.7%

methanol (67-56-1) + 1-[(tert-butoxycarbonyl)amino]cyclobutanecarboxylic acid (120728-10-1) → methyl 1-aminocyclobutanecarboxylate (215597-35-6)

Guidance literature:

With sulfuric acid; at 75 ℃;

upstream raw materials:

methyl 1-azidocyclobutane-1-carboxylate

3'-(p-tolylsulfinyl)spiro[cyclobutane-1,2'-oxirane]

methanol

1-[(tert-butoxycarbonyl)amino]cyclobutanecarboxylic acid

Downstream raw materials:

1-[(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-propionylamino]-cyclobutanecarboxylic acid methyl ester

Methyl 1-(4-methoxy-2,6-dimethylphenylsulfonamido)cyclobutane-carboxylate

C₂₂H₂₆N₄O₃

(1-aminocyclobutyl)methanol