116437-42-4

Basic information

• Product Name: (5-OXO-5-PHENYL-PENTYL)-CARBAMIC ACID TERT-BUTYL ESTER
• Synonyms: 5-(N-BOC-AMINO)PENTANOPHENONE;(5-OXO-5-PHENYL-PENTYL)-CARBAMIC ACID TERT-BUTYL ESTER;5-(BOC-AMINO)-1-PHENYL-PENTAN-1-ONE;(5-Oxo-5-phenyl-pentyl)-carbamic acid tert-butyl;5-(BOC-AMINO)-1-PHENYL-PENTAN-1-ONE, (5-OXO-5-PHENYL-PENTYL)-CARBAMIC ACID TERT-BUTYL ESTER >99%;tert-Butyl (5-oxo-5-phenylpentyl)carbaMate
• CAS NO: 116437-42-4
• Molecular Formula: C₁₆H₂₃NO₃
• Molecular Weight: 277.36
• Mol File: 116437-42-4.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 421.6°Cat760mmHg
• Flash Point: 208.8°C
• Appearance: /
• Density: 1.045g/cm³
• Vapor Pressure: 2.58E-07mmHg at 25°C
• Refractive Index: 1.504
• CAS DataBase Reference: (5-OXO-5-PHENYL-PENTYL)-CARBAMIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (5-OXO-5-PHENYL-PENTYL)-CARBAMIC ACID TERT-BUTYL ESTER(116437-42-4)
• EPA Substance Registry System: (5-OXO-5-PHENYL-PENTYL)-CARBAMIC ACID TERT-BUTYL ESTER(116437-42-4)

Safety Data

• Hazardous Substances Data: 116437-42-4(Hazardous Substances Data)

Usage

Description

(5-OXO-5-PHENYL-PENTYL)-CARBAMIC ACID TERT-BUTYL ESTER is a chemical compound characterized by the molecular formula C16H21NO3. It is a tertiary butyl ester of carbamic acid, featuring a phenyl group within its structure. This versatile chemical is primarily utilized in the synthesis of pharmaceuticals and agrochemicals, and may also serve as a precursor in the production of various organic compounds and intermediates. Its specific applications and properties are contingent upon the intended use and the conditions under which it is employed.

Uses

Used in Pharmaceutical Industry:
(5-OXO-5-PHENYL-PENTYL)-CARBAMIC ACID TERT-BUTYL ESTER is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, (5-OXO-5-PHENYL-PENTYL)-CARBAMIC ACID TERT-BUTYL ESTER is utilized as a component in the formulation of agrochemicals, potentially enhancing crop protection and yield through its incorporation into pesticides or other agricultural products.
Used in Organic Synthesis:
(5-OXO-5-PHENYL-PENTYL)-CARBAMIC ACID TERT-BUTYL ESTER is employed as a versatile building block in organic synthesis, allowing for the creation of a wide range of organic compounds and intermediates that can be applied across various chemical industries.

InChI:InChI=1/C16H23NO3/c1-16(2,3)20-15(19)17-12-8-7-11-14(18)13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,17,19)

Upstream product

• 675-20-7 piperidin-2-one 
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• 85908-96-9 2-oxopiperidine-1-carboxylic acid tert-butyl ester 
• 24424-99-5 di-tert-butyl dicarbonate 
• 100-58-3 phenylmagnesium bromide 

Downstream Products

• 1386980-57-9 N-(5-(5-amino-1-phenylpentylcarbamoyl)-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide 
• 1386982-00-8 tert-butyl 5-(4-chloro-3-(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamido)benzamido)-5-phenylpentylcarbamate 
• 3466-80-6 (R)-(+)-6-phenylpiperidine 
• 1186336-27-5 R-trifluoroacetamide 
• 1217352-79-8 (2S)-2-phenyl-1-(trifluoroacetyl)piperidine 
• 172833-30-6 tert-butyl 5-amino-5-phenylpentylcarbamate 
• 1386982-01-9 (E)-tert-butyl 5-(hydroxyimino)-5-phenylpentyl-carbamate 
• 3466-80-6 2-phenylpiperidine 
• 57050-07-4 2-phenyl-3,4,5,6-tetrahydropyridine 

Relevant articles and documents

DNA-damaging steroidal alkaloids from Eclipta alba from the suriname rainforest

Bioassay-guided fractionation of the MeOH extract of Eclipta alba using three yeast strains (1138, 1140, and 1353) resulted in the isolation of eight bioactive steroidal alkaloids (1-8), six of which are reported for the first time from nature. The major alkaloid was identified as (20S)(25S)-22,26- imino-cholesta-5,22(N)-dien-3β-ol (verazine, 3), while the new alkaloids were identified as 20-epi-3-dehydroxy-3-oxo-5,6-dihydro-4,5-dehydroyerazine (1), ecliptalbine [(20R)-20-pyridyl-cholesta-5-ene-3β,23-diol] (4), (20R)- 4β-hydroxyverazine (5), 4β-hydroxyverazine (6), (20R)-25β-hydroxyverazine (7), and 25β-hydroxyverazine (8). Ecliptalbine (4), in which the 22,26- imino ring of verazine was replaced by a 3-hydroxypyridine moiety, had comparable bioactivity to verazine in these assays, while a second alkaloid (8) showed good activity against Candida albicans. All the alkaloids showed weak cytotoxicity against the M-109 cell line.

Enantioselective Direct Synthesis of Free Cyclic Amines via Intramolecular Reductive Amination

Chiral cyclic amines can be prepared via intramolecular reductive amination of N-Boc-protected amino ketones in a one-pot process. With the complex of iridium and f-spiroPhos as the catalyst, a range of N-Boc-protected amino ketones are smoothly transformed into chiral cyclic free amines in high yields and excellent enantioselectivities (up to 97% ee). Moreover, this method can also be successfully applied to the synthesis of a κ-opioid receptor selective antagonist, (S)-1.

PYRIDO PYRIMIDINES

Compounds of formula and pharmaceutically acceptable salts thereof are described, as well as the pharmaceutical compositions containing said compounds and their pharmaceutically acceptable salts, and the use of said compounds and pharmaceutical compositions for the treatment, control or amelioration of proliferative diseases, including cancer, Down syndrome or early onset Alzheimer's disease.