Name: Name:(S)-1-Boc-2,3-dihydro-2-pyrrolecarboxylic acid ethyl ester
Brand: Angene
SKU: AG0025T6
Rating: 90 (10 reviews)

(S)-1-Boc-2,3-dihydro-2-pyrrolecarboxylic acid ethyl ester

CAS No.:

178172-26-4

Catalog Number:

AG0025T6

Molecular Formula:

C12H19NO4

Molecular Weight:

241.2836

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

95%

In Stock USA

United States

$175

- +

95%

In Stock USA

United States

$438

- +

95%

In Stock USA

United States

$1275

- +

Product Description

Catalog Number:

AG0025T6

Chemical Name:

(S)-1-Boc-2,3-dihydro-2-pyrrolecarboxylic acid ethyl ester

CAS Number:

178172-26-4

Molecular Formula:

C12H19NO4

Molecular Weight:

241.2836

MDL Number:

MFCD11501326

IUPAC Name:

1-O-tert-butyl 2-O-ethyl (2S)-2,3-dihydropyrrole-1,2-dicarboxylate

InChI:

InChI=1S/C12H19NO4/c1-5-16-10(14)9-7-6-8-13(9)11(15)17-12(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m0/s1

InChI Key:

AZVLZXHTXUIWRZ-VIFPVBQESA-N

SMILES:

CCOC(=O)[C@@H]1CC=CN1C(=O)OC(C)(C)C

Properties

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.287g/mol

Monoisotopic Mass:

241.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Biocatalytic ammonolysis of (5S)-4,5-dihydro-1H-pyrrole-1,5-dicarboxylic acid, 1-(1,1-dimethylethyl)-5-ethyl ester: preparation of an intermediate to the dipeptidyl peptidase IV inhibitor Saxagliptin.	Bioorganic & medicinal chemistry letters 20060201

Properties