4-(2-Oxoethyl)piperidine-1-carboxylic acid,tert-butyl ester

CAS

142374-19-4

Catalog Number

ACM142374194

Category

Other Products

Molecular Weight

227.300040 [g/mol]

Molecular Formula

C₁₂H₂₁NO₃

MSDS COA Spec Sheet

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Specification

Synonyms

N-Boc-4-piperidineacetaldehyde, 142374-19-4, Tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate, 1-Boc-4-(2-oxo-ethyl)piperidine, tert-Butyl 4-(formylmethyl)piperidine-1-carboxylate, 4-(2-Oxoethyl)piperidine-1-carboxylic acid, tert-butyl ester, 4-(2-Oxo-ethyl)-piperidine-1-carboxylic acid tert-butyl ester, ACMC-20a6wd, 680214_ALDRICH, CTK4C3072, MolPort-000-002-421, 1-Boc-4-(2-Oxoethyl)Piperidine, ACT09410, ANW-59867, RW1058, ZINC02576135, AKOS005067591, AB14633, AG-D-83938, RP00321

IUPAC Name

tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate

Canonical SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC=O

InChI Key

PSRHRFNKESVOEL-UHFFFAOYSA-N

Boiling Point

318.1ºC at 760mmHg

Melting Point

38-42ºC

Flash Point

146.2ºC

Density

1.035g/cm³

Exact Mass

227.15200

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

S26

Upstream Synthesis Route 1

89151-44-0

142374-19-4

Reference: [1]Current Patent Assignee: WUXI APPTEC CO., LTD. - CN110563723, 2019, A
Location in patent: Paragraph 0006; 0007

Downstream Synthesis Route 1

142374-19-4

142247-38-9

Reference: [1] Journal of Medicinal Chemistry, 1994, vol. 37, # 16, p. 2537 - 2551

Downstream Synthesis Route 2

142374-19-4

256411-39-9

Reference: [1] Journal of Organic Chemistry, 2012, vol. 77, # 20, p. 9334 - 9337,4
[2] Journal of Organic Chemistry, 2012, vol. 77, # 20, p. 9334 - 9337

Downstream Synthesis Route 3

142374-19-4
74-89-5

896103-62-1

Reference: [1] Patent: WO2006/67531, 2006, A1, . Location in patent: Page/Page column 16-17

Downstream Synthesis Route 4

142374-19-4

252985-87-8

Reference: [1]Brundish, Derek; Bull, Alice; Donovan, Vera; Fullerton, Joseph D.; Garman, Sheila M.; Hayler, Judy F.; Janus, Diana; Kane, Peter D.; McDonnell, Mark; Smith, Garrick P.; Wakeford, Robert; Walker, Clive V.; Howarth, Graham; Hoyle, William; Allen, Mark C.; Ambler, John; Butler, Keith; Talbot, Mark D.
[Journal of Medicinal Chemistry, 1999, vol. 42, # 22, p. 4584 - 4603]
[2]Current Patent Assignee: EXELIXIS INC - WO2010/138490, 2010, A1
Location in patent: Page/Page column 39
[3]Current Patent Assignee: EXELIXIS INC - WO2010/138487, 2010, A1
Location in patent: Page/Page column 129
[4]Current Patent Assignee: EXELIXIS INC - WO2012/71509, 2012, A2
Location in patent: Page/Page column 163-164

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