1-Boc-3-(Aminomethyl)azetidine

Base Information

• Chemical Name: 1-Boc-3-(Aminomethyl)azetidine
• CAS No.: 325775-44-8
• Molecular Formula: C9H18N2O2
• Molecular Weight: 186.254
• Hs Code.: 2933990090
• European Community (EC) Number: 664-250-8
• DSSTox Substance ID: DTXSID00443372
• Wikidata: Q72448183
• Mol file: 325775-44-8.mol

Synonyms:325775-44-8;1-Boc-3-(Aminomethyl)azetidine;Tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;1-Boc-3-Aminomethylazetidine;3-Aminomethyl-1-N-Boc-azetidine;3-Aminomethyl-azetidine-1-carboxylic acid tert-butyl ester;1-AZETIDINECARBOXYLIC ACID, 3-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTER;MFCD01861762;1-N-Boc-3-Aminomethyl azetidine;1-(n-boc)-3-aminomethylazetidine;SCHEMBL344307;1-boc-3(aminomethyl)azetidine;DTXSID00443372;XSJPKMUFBHSIRA-UHFFFAOYSA-N;CS-D0671;AKOS005259820;AC-2252;PB33983;PS-4223;SY018073;1-Boc-3-(aminomethyl)azetidine, AldrichCPR;A5825;AM20090476;FT-0601845;EN300-101454;tert-butyl 3-(aminomethyl)azetidine-1-carboxylat;tert-butyl3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-(aminomethyl)-1-azetidinecarboxylate;Q-103136;1,1-dimethylethyl 3-(aminomethyl)-1-azetidinecarboxylate;2-CHLORO-5-(PIPERIDINE-1-SULFONYL)-BENZOICACID;3-aminomethylazetidine-1-carboxylic acid tert-butyl ester

Chemical Property of 1-Boc-3-(Aminomethyl)azetidine

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Refractive Index: 1.492
• Boiling Point: 260.583 °C at 760 mmHg
• PKA: 9.97±0.29(Predicted)
• Flash Point: 111.397 °C
• PSA: 55.56000
• Density: 1.07g/cm³
• LogP: 1.45020
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.136827821
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl3-(Aminomethyl)azetidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,T
• Statements: 36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC(C1)CN

Technology Process of 1-Boc-3-(Aminomethyl)azetidine

There total 3 articles about 1-Boc-3-(Aminomethyl)azetidine 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:

tert-butyl 3-cyanoazetidine-1-carboxylate (142253-54-1) → tert-butyl 3-(aminomethyl)azetidine-1-carboxylate (325775-44-8)

Guidance literature:

With ammonia; hydrogen; nickel; In methanol; at 20 ℃; for 3.5h; under 30400 Torr;

DOI:10.1021/jm0003440

Reference yield:

tert-butyl 3-hydroxyazetidine-1-carboxylate (141699-55-0) → tert-butyl 3-(aminomethyl)azetidine-1-carboxylate (325775-44-8)

Guidance literature:

Multi-step reaction with 3 steps

1: Et₃N / ethyl acetate / 1 h / 0 °C

2: 57 percent / dimethylsulfoxide / 48 h / 130 °C

3: H₂; NH₃ / Raney Ni / methanol / 3.5 h / 20 °C / 30400 Torr

With ammonia; hydrogen; triethylamine; nickel; In methanol; dimethyl sulfoxide; ethyl acetate;

DOI:10.1021/jm0003440

Reference yield:

3-methanesulfonyloxy-azetidine-1-carboxylic acid tert-butyl ester (141699-58-3) → tert-butyl 3-(aminomethyl)azetidine-1-carboxylate (325775-44-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 57 percent / dimethylsulfoxide / 48 h / 130 °C

2: H₂; NH₃ / Raney Ni / methanol / 3.5 h / 20 °C / 30400 Torr

With ammonia; hydrogen; nickel; In methanol; dimethyl sulfoxide;

DOI:10.1021/jm0003440

upstream raw materials:

tert-butyl 3-cyanoazetidine-1-carboxylate

tert-butyl 3-hydroxyazetidine-1-carboxylate

3-methanesulfonyloxy-azetidine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

3-(benzoylamino-methyl)-azetidine-1-carboxylic acid tert-butyl ester

3-(benzenesulfonylamino-methyl)-azetidine-1-carboxylic acid tert-butyl ester

3-[(cyclohexanecarbonyl-amino)-methyl]-azetidine-1-carboxylic acid tert-butyl ester

1,1-dimethylethyl 3-[({[(phenylmethyl)oxy]carbonyl}amino)methyl]-1-azetidinecarboxylate