Tert-butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
• CAS No.: 497160-14-2
• Molecular Formula: C₁₁H₁₉NO₄
• Molecular Weight: 229.276
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60692985
• Wikidata: Q82622013
• Mol file: 497160-14-2.mol

Synonyms:497160-14-2;tert-butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate;3-AZETIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-, METHYL ESTER;METHYL 1-BOC-AZETIDINE-3-ACETATE;Methyl 1-Boc-3-azetidineacetate;MFCD11559001;1-Boc-3-(2-methoxy-2-oxoethyl)azetidine;Methyl 2-(1-Boc-azetidin-3-yl)acetate;SCHEMBL7261502;DTXSID60692985;OPTPWZDWKAOOPP-UHFFFAOYSA-N;XUA16014;AKOS015837065;PB10920;DS-15765;SY098664;AM20100213;CS-0041861;FT-0684713;A24412;EN300-783075;J-511745;tert-Butyl3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate;3-Methoxycarbonylmethyl-azetidine-1-carboxylic acid tert-butyl ester;3-MethoxycarbonylMethylazetidine-1-carboxylic acid tert-butyl ester;TERT-BUTYL3-((METHOXYCARBONYL)METHYL)AZETIDINE-1-CARBOXYLATE;3-Azetidineaceticacid,1-[(1,1-dimethylethoxy)carbonyl]-,methyl ester;TERT-BUTYL 3-((METHOXYCARBONYL)METHYL) AZETIDINE-1-CARBOXYLATE

Chemical Property of Tert-butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate

Chemical Property:

• Boiling Point: 285.8±13.0 °C(Predicted)
• PKA: -2.28±0.40(Predicted)
• PSA: 55.84000
• Density: 1.108±0.06 g/cm3(Predicted)
• LogP: 1.35430
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 229.13140809
• Heavy Atom Count: 16
• Complexity: 276

Purity/Quality:

99%, ^*data from raw suppliers

1-Boc-3-azetidineaceticacidmethylester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate

There total 1 articles about Tert-butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-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: 100.0%

2-(1-(tert-butoxycarbonyl)azetidin-3-yl)acetic acid (183062-96-6) + methyl iodide (74-88-4) → tert-butyl 3-(2-methoxy-2-oxo-ethyl)azetidine-1-carboxylate (497160-14-2)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

tert-butyl 3-(2-methoxy-2-oxo-ethyl)azetidine-1-carboxylate (497160-14-2) → C16H21Cl2NO3 (1620087-49-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / -78 - 20 °C / Cooling with ice; Inert atmosphere

2.1: oxalyl dichloride / dichloromethane; dimethyl sulfoxide / 3 h / -78 °C / Cooling with ice; Inert atmosphere

2.2: 1 h / -78 °C

3.1: tetrahydrofuran / 3 h / 0 °C / Inert atmosphere

With lithium aluminium tetrahydride; oxalyl dichloride; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide;

DOI:10.1016/j.bmcl.2014.06.026

Reference yield:

tert-butyl 3-(2-methoxy-2-oxo-ethyl)azetidine-1-carboxylate (497160-14-2) → C17H23Cl2NO5S

Guidance literature:

Multi-step reaction with 4 steps

1.1: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / -78 - 20 °C / Cooling with ice; Inert atmosphere

2.1: oxalyl dichloride / dichloromethane; dimethyl sulfoxide / 3 h / -78 °C / Cooling with ice; Inert atmosphere

2.2: 1 h / -78 °C

3.1: tetrahydrofuran / 3 h / 0 °C / Inert atmosphere

4.1: triethylamine / dichloromethane / 0.5 h / 0 °C

With lithium aluminium tetrahydride; oxalyl dichloride; triethylamine; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide;

DOI:10.1016/j.bmcl.2014.06.026

upstream raw materials:

2-(1-(tert-butoxycarbonyl)azetidin-3-yl)acetic acid

methyl iodide

Downstream raw materials:

azetidin-3-ylacetic acid methyl ester

tert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate

tert-butyl 3-(2-oxoethyl)azetidine-1-carboxylate

3-(2-(3,4-dichlorophenyl)-2-(2-fluorophenoxy)ethyl)azetidine

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