Ethyl 1-benzylazetidine-3-carboxylate

Base Information

• Chemical Name: Ethyl 1-benzylazetidine-3-carboxylate
• CAS No.: 103491-30-1
• Molecular Formula: C₁₃H₁₇NO₂
• Molecular Weight: 219.283
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50700124
• Wikidata: Q82631315
• Mol file: 103491-30-1.mol

Synonyms:ETHYL 1-BENZYLAZETIDINE-3-CARBOXYLATE;103491-30-1;1-(PHENYLMETHYL)-3-AZETIDINECARBOXYLIC ACID ETHYL ESTER;SCHEMBL1872029;DTXSID50700124;FMTYFFUHYLYKLH-UHFFFAOYSA-N;SB51488;ETHYL1-BENZYLAZETIDINE-3-CARBOXYLATE;CS-0416132;FT-0702710;F79409

Chemical Property of Ethyl 1-benzylazetidine-3-carboxylate

Chemical Property:

• PSA: 29.54000
• LogP: 1.61940
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl1-benzylazetidine-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CN(C1)CC2=CC=CC=C2

Technology Process of Ethyl 1-benzylazetidine-3-carboxylate

There total 2 articles about Ethyl 1-benzylazetidine-3-carboxylate 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:

3,3‐diethyl 1‐benzylazetidine‐3,3‐dicarboxylate (642411-11-8) → ethyl 1-benzylazetidine-3-carboxylate (103491-30-1)

Guidance literature:

tetraethylammonium acetate; In 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; water; at 130 ℃; for 12h;

Reference yield:

1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone(DMPU, 40 mL) + tetraethylammonium acetate tetrahydrate (67533-12-4) + 3,3‐diethyl 1‐benzylazetidine‐3,3‐dicarboxylate (642411-11-8) → ethyl 1-benzylazetidine-3-carboxylate (103491-30-1)

Guidance literature:

upstream raw materials:

3,3‐diethyl 1‐benzylazetidine‐3,3‐dicarboxylate

tetraethylammonium acetate tetrahydrate