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Home > Encyclopedia > 1-Boc-azetidine-2-carboxylic acid methyl ester

1-Boc-azetidine-2-carboxylic acid methyl ester

1-Boc-azetidine-2-carboxylic acid methyl ester structure

1-Boc-azetidine-2-carboxylic acid methyl ester 

structure
  • CAS No:

    255882-72-5

  • Formula:

    C10H17NO4

  • Chemical Name:

    1-Boc-azetidine-2-carboxylic acid methyl ester

  • Synonyms:

    MethylN-Boc-Azetidine-2-carboxylate;1,2-Azetidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester;1-Boc-Azetidine-2-carboxy...;Methyl 1-Boc-azetidine-2-carboxylate;O1-tert-Butyl O2-methyl azetidine-1,2-dicarboxylate

1-Boc-azetidine-2-carboxylic acid methyl ester Basic Attributes

215.25

215.115753

DTXSID60564416

2933990090

Characteristics

55.8

1.2

1.2±0.1 g/cm3

269.018ºC at 760 mmHg

116.5±25.4 °C

1.481

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1-Boc-azetidine-2-carboxylic acid methyl ester Use and Manufacturing

Isobutyl chloroformate (8.43 Ig, 61.7mmol) was added to a solution of iV-tert- butyloxycarbonylazetidin-2-yl carboxylic acid (12.42g, 61.7mmol) and N-methyl morpholine (6.23g, 61.7mmol) in anhydrous THF (20ml) cooled at -10°C under an nitrogen atmosphere, at such a rate to keep the reaction temperature below -8 To a solution of azetidine-2(S)-carboxylic acid, methyl ester hydrochloride salt (6.6 mmol, 1.0 g) in anhydrous dichloromethane (14 mL) was added di-tert-butyl dicarbonate (1.05 equiv; 6.9 mmol, 1.51 g), triethylamine (3.0 equiv; 19.8 mmol, 2.0 g, 2.76 mL), and 4-dimethyl-aminopyridine in that order at 25° C.

Computed Properties

Molecular Weight:215.25
XLogP3:1.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:215.11575802
Monoisotopic Mass:215.11575802
Topological Polar Surface Area:55.8
Heavy Atom Count:15
Complexity:269
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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