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CAS Number: 79099-07-3
tert-butyl 4-oxopiperidine-1-carboxylate

Structure

tert-butyl 4-oxopiperidine-1-carboxylate
Name: tert-butyl 4-oxopiperidine-1-carboxylate
Synonyms:
General Information
Product Number: 79099073

CAS Registry Number: 79099-07-3

Name:

1-​Piperidinecarboxylic acid, 4-​oxo-​, 1,​1-​dimethylethyl ester
1,​1-​Dimethylethyl 4-​oxo-​1-​piperidinecarboxylat​e; 1-​(tert-​Butoxycarbonyl)​-​4-​oxopiperidine; 1-​(tert-​Butoxycarbonyl)​-​4-​piperidinone; 1-​(tert-​Butoxycarbonyl)​-​4-​piperidone; 1-​(tert-​Butyloxycarbonyl)​-​4-​piperidinone; 1-​(tert-​Butyloxycarbonyl)​-​4-​piperidone; 1-​BOC-​4-​piperidone; 1-​Boc-​4-​oxopiperidine; 1-​Boc-​piperidin-​4-​one; 4-​Keto-​1-​piperidinecarboxylic acid 1,​1-​dimethylethyl ester; 4-​Oxo-​1-​(tert-​butoxycarbonyl)​piperidine; 4-​Oxo-​1-​piperidinecarboxylic acid 1,​1-​dimethylethyl ester; 4-​Oxo-​N-​Boc-​piperidine; 4-​Oxopiperidin-​1-​carboxylic acid tert-​butyl ester; 4-​Oxopiperidine-​1-​carboxylic acid tert-​butyl ester; 4-​Oxopiperidine-​1-​carboxylic acid tert-​butyl ester; N-​(tert-​Butoxycarbonyl)​-​4-​piperidinone; N-​(tert-​Butoxycarbonyl)​-​4-​piperidone; N-​(tert-​Butyloxycarbonyl)​-​4-​piperidone; N-​(tert-​Butyloxycarbonyl)​piperidin-​4-​one; N-​BOC-​4-​piperidone; N-​Boc-​4-​oxopiperidine; N-​Boc-​piperidin-​4-​one; N-​Boc-​piperidine-​4-​one; tert-​Butyl 4-​oxo-​1-​piperidinecarboxylat​e; tert-​Butyl 4-​oxopiperidine-​1-​carboxylate 

 

Chemical Formula: C10H17NO3
Exact Mass: 199.12
Molecular Weight: 199.25
m/z: 199.12 (100.0%), 200.12 (11.2%), 201.13 (1.2%)
Elemental Analysis: C, 60.28; H, 8.60; N, 7.03; O, 24.09

 

InChI: InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h4-7H2,1-3H3
InChIKey: ROUYFJUVMYHXFJ-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCC(=O)CC1

 

Thermal Properties Value Condition Note
Melting Point 73-75 °C   (7)CAS
Melting Point 72 °C Solv: hexane (110-54-3) (2)CAS
Melting Point 70-73 °C   (6)IC
Melting Point 70-72 °C Solv: ligroine (8032-32-4) (4)IC
Melting Point 70-72 °C Solv: ligroine (8032-32-4) (5)IC
Melting Point 68-70 °C   (13)CAS
Melting Point 64-65 °C   (1)CAS
Melting Point See full text   (14)CAS

 

Specification

98%

References
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