1-Piperidinecarboxylicacid,4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-,1,1-dimethylethyl ester

• CAS: 166815-96-9
• Catalog Number: ACM166815969
• Category: Other Products
• Molecular Weight: 369.48
• Molecular Formula: C₁₈H₂₇NO₅S
• Synonyms: 166815-96-9, N-Boc-4-(4-Toluenesulfonyloxymethyl)piperidine, N-TERT-BUTOXYCARBONYL-4-(4-TOLUENESULFONYLOXYMETHYL)PIPERIDINE, F2167-0074, tert-butyl 4-({[(4-methylphenyl)sulfonyl]oxy}methyl)piperidine-1-carboxylate, PubChem23416, AC1Q2LQW, AGN-PC-0CTN17, KSC532I5J, CTK4D2454, MolPort-003-823-749, ACT05192, ANW-50316, STL357534, ZINC02563761, AKOS005174069, AG-E-16214, MCULE-5860712597, AK-17106, BR-17106
• IUPAC Name: tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylate
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C(=O)OC(C)(C)C
• InChI Key: DARTVAOOTJKHQW-UHFFFAOYSA-N
• Boiling Point: 487.784ºC at 760 mmHg
• Flash Point: 248.803ºC
• Density: 1.175g/cm³
• Exact Mass: 369.16100
• H-Bond Acceptor: 5
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 98-59-9
• 123855-51-6

• 166815-96-9

Reference: [1] Patent: US2017/29430, 2017, A1, . Location in patent: Paragraph 0255

Upstream Synthesis Route 2

• 280-57-9
• 107-83-5
• 98-59-9
• 123855-51-6

• 166815-96-9

Reference: [1] Patent: US7235559, 2007, B1,

Downstream Synthesis Route 1

• 166815-96-9

• 581060-27-7

Reference: [1] Patent: US2016/243100, 2016, A1,

Downstream Synthesis Route 2

• 166815-96-9

• 259143-03-8

Reference: [1]Gilissen; Bormans; De Groot; Verbruggen
[Journal of labelled compounds and radiopharmaceuticals, 1999, vol. 42, # 13, p. 1289 - 1300]

Downstream Synthesis Route 3

• 166815-96-9
• 196603-96-0

• 338992-20-4

Reference: [1]Journal of Medicinal Chemistry,2002,vol. 45,p. 1300 - 1312
[2]Patent: EP1244647,2006,B1 .Location in patent: Page/Page column 19
[3]Patent: WO2007/36713,2007,A2 .Location in patent: Page/Page column 57
[4]Patent: US2010/75916,2010,A1 .Location in patent: Page/Page column 19-20
[5]Patent: CN108558828,2018,A .Location in patent: Paragraph 0076; 0101-0102

Downstream Synthesis Route 4

• 3943-74-6
• 166815-96-9

• 906565-52-4

Reference: [1]Li, Qiannan; Zhang, Tao; Li, Shiliang; Tong, Linjiang; Li, Junyu; Su, Zhicheng; Feng, Fang; Sun, Deheng; Tong, Yi; Wang, Xia; Zhao, Zhenjiang; Zhu, Lili; Ding, Jian; Li, Honglin; Xie, Hua; Xu, Yufang
[ACS Medicinal Chemistry Letters, 2019, vol. 10, # 6, p. 869 - 873]
[2]Current Patent Assignee: EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY; CHINESE ACADEMY OF SCIENCES; Shanghai Institute of Materia Medica (in: CAS) - EP3778586, 2021, A1
Location in patent: Paragraph 0060-0061
[3]Boschelli, Diane H.; Ye, Fei; Wu, Biqi; Wang, Yanong D.; Barrios Sosa, Ana Carolina; Yaczko, Deanna; Powell, Dennis; Golas, Jennifer M.; Lucas, Judy; Boschelli, Frank
[Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 21, p. 3797 - 3800]

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