(S)-N-Boc-azetidine-2-carboxylic acid methyl ester

Base Information

• Chemical Name: (S)-N-Boc-azetidine-2-carboxylic acid methyl ester
• CAS No.: 107020-12-2
• Molecular Formula: C10H17 N O4
• Molecular Weight: 215.25
• Hs Code.: 29349990
• European Community (EC) Number: 676-068-6
• DSSTox Substance ID: DTXSID20564417
• Nikkaji Number: J2.575.988E
• Wikidata: Q76506413
• Mol file: 107020-12-2.mol

Synonyms:107020-12-2;(S)-N-Boc-azetidine-2-carboxylic acid methyl ester;(S)-1-tert-Butyl 2-methyl azetidine-1,2-dicarboxylate;(S)-1-BOC-AZETIDINE-2-CARBOXYLIC ACID METHYL ESTER;1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate;1,2-Azetidinedicarboxylicacid, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-;MFCD09025329;1-(tert-butyl) 2-methyl (S)-azetidine-1,2-dicarboxylate;O1-tert-butyl O2-methyl (2S)-azetidine-1,2-dicarboxylate;1-TERT-BUTYL 2-METHYL (2S)-AZETIDINE-1,2-DICARBOXYLATE;(s)-azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester;1,2-Azetidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, (S)-;SCHEMBL2995875;DTXSID20564417;FGWUDHZVEBFGKS-ZETCQYMHSA-N;AMY38523;AKOS022172745;AS-36848;Methyl (2S)-1-Boc-2-azetidinecarboxylate;CS-0052394;(s)-tert-butyl methyl azetidine-1,2-dicarboxylate;A801555;(S)-1-tert-Butyl2-methylazetidine-1,2-dicarboxylate;1-(tert-butoxycarbonyl)azetidine-2(s)-carboxylic acid methyl ester;(2S)-azetidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester;N-(tert-butoxycarbonyl)-azetidine-2(S)-carboxylic acid, methyl ester;N-(tert-butyloxycarbonyl)-azetidine-2(S)-carboxylic acid, methyl ester

Chemical Property of (S)-N-Boc-azetidine-2-carboxylic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.481
• Boiling Point: 269°Cat760mmHg
• PKA: -3.46±0.40(Predicted)
• Flash Point: 116.5°C
• PSA: 55.84000
• Density: 1.152g/cm³
• LogP: 1.10670
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 215.11575802
• Heavy Atom Count: 15
• Complexity: 269

Purity/Quality:

97% ^*data from raw suppliers

(S)-1-tert-Butyl2-MethylAzetidine-1,2-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC1C(=O)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC[C@H]1C(=O)OC

Technology Process of (S)-N-Boc-azetidine-2-carboxylic acid methyl ester

There total 7 articles about (S)-N-Boc-azetidine-2-carboxylic 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: 100.0%

(S)-1-(t-butoxycarbonyl)azetidine-2-carboxylic acid (51077-14-6) + diazomethyl-trimethyl-silane (18107-18-1) → methyl N-tert-butyloxycarbonyl-L-azetidine-2-carboxylate (107020-12-2)

Guidance literature:

In methanol; hexane; water; benzene; for 1h;

DOI:10.1071/CH13464

Reference yield: 98.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + (S)-1-(t-butoxycarbonyl)azetidine-2-carboxylic acid (51077-14-6) → methyl N-tert-butyloxycarbonyl-L-azetidine-2-carboxylate (107020-12-2)

Guidance literature:

In diethyl ether; ethanol;

DOI:10.3987/R-1986-09-2539

Reference yield:

(S)-1-(t-butoxycarbonyl)azetidine-2-carboxylic acid (51077-14-6) + methyl iodide (74-88-4) → methyl N-tert-butyloxycarbonyl-L-azetidine-2-carboxylate (107020-12-2)

Guidance literature:

With potassium carbonate; In N-methyl-acetamide;

upstream raw materials:

diazomethane

(S)-1-(t-butoxycarbonyl)azetidine-2-carboxylic acid

di-tert-butyl dicarbonate

methyl iodide

Downstream raw materials:

(S)-2-carbamoyl-azetidine-1-carboxylic acid tert-butyl ester

methyl (2S)-azetidine-2-carboxylate

N-benzyloxycarbonyl azetidine-2-carboxylate methyl ester

(S)-1-(N-tert-butyloxycarbonylazetidin-2-yl)-3-cyclohexylamino-3-(thiazol-2-yl)prop-2-en-1-one