4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester

CAS

590424-04-7

Catalog Number

ACM590424047

Category

Other Products

Molecular Weight

337.45704

Molecular Formula

C₁₈H₃₁N₃O₃

MSDS COA Spec Sheet

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Specification

Synonyms

4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester

IUPAC Name

tert-butyl 4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Canonical SMILES

CCN(CC)CCNC(=O)C1=C(NC(=C1C)C(=O)OC(C)(C)C)C

InChI Key

ULCXXVYUVOQRQX-UHFFFAOYSA-N

Exact Mass

337.23700

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

14352-65-9
590424-03-6

590424-04-7

Reference: [1] Journal of Organic Chemistry, 2003, vol. 68, # 16, p. 6447 - 6450

Upstream Synthesis Route 2

1694-31-1

590424-04-7

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 19, p. 4380 - 4384
[2] Journal of Organic Chemistry, 2003, vol. 68, # 16, p. 6447 - 6450
[3] Patent: CN106588888, 2017, A,

Upstream Synthesis Route 3

14352-65-9
590424-03-6

590424-04-7

Reference: [1]Journal of Organic Chemistry,2003,vol. 68,p. 6447 - 6450

Upstream Synthesis Route 4

1694-31-1

590424-04-7

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 4380 - 4384
[2]Journal of Organic Chemistry,2003,vol. 68,p. 6447 - 6450
[3]Patent: CN106588888,2017,A

Downstream Synthesis Route 1

590424-04-7

356068-86-5

Reference: [1] Patent: CN106588888, 2017, A,

Downstream Synthesis Route 2

590424-04-7

590424-05-8

Reference: [1]Journal of Organic Chemistry,2003,vol. 68,p. 6447 - 6450
[2]Patent: US2006/9510,2006,A1 .Location in patent: Page/Page column 16
[3]Patent: CN106588888,2017,A .Location in patent: Paragraph 0034; 0041; 0042
[4]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 4380 - 4384
[5]Patent: WO2010/136458,2010,A1 .Location in patent: Page/Page column 24; 25

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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