(2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER

Modify Date: 2024-01-08 17:00:36

(2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER Structure
(2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER structure
 Common Name (2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
CAS Number 58246-00-7 Molecular Weight 231.24700
Density 1.256g/cm3 Boiling Point 511.2ºC at 760 mmHg
Molecular Formula C13H13NO3 Melting Point N/A
MSDS N/A Flash Point 263ºC

 Names

Name 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.256g/cm3
Boiling Point 511.2ºC at 760 mmHg
Molecular Formula C13H13NO3
Molecular Weight 231.24700
Flash Point 263ºC
Exact Mass 231.09000
PSA 57.61000
LogP 1.97310
Index of Refraction 1.585

 Safety Information

HS Code 2933499090

 Synthetic Route

Isoquinoline structure

Isoquinoline

CAS#:119-65-3
Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7

~42%

(2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER Structure

(2-[4-BENZYL-PI...

CAS#:58246-00-7
Literature: Yamanaka, Hiroshi; Shiraishi, Takayuki; Sakamoto, Takao Chemical & Pharmaceutical Bulletin, 1981 , vol. 29, # 4 p. 1056 - 1062
Isoquinoline structure

Isoquinoline

CAS#:119-65-3
Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7
Acetone structure

Acetone

CAS#:67-64-1

~25%

1-(2-acetyl-1H-isoquinolin-1-yl)propan-2-one structure

1-(2-acetyl-1H-...

CAS#:58245-86-6
Detail
Literature: Yamanaka, Hiroshi; Shiraishi, Takayuki; Sakamoto, Takao Chemical & Pharmaceutical Bulletin, 1981 , vol. 29, # 4 p. 1056 - 1062
Isoquinoline structure

Isoquinoline

CAS#:119-65-3
Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7
Ethyl 3-oxo-3-phenylpropanoate structure

Ethyl 3-oxo-3-p...

CAS#:94-02-0

~6%

2-acetyl-1-(2-oxo-2-phenylethyl)-1,2-dihydroisoquinoline structure

2-acetyl-1-(2-o...

CAS#:63488-74-4
Detail
Literature: Yamanaka, Hiroshi; Shiraishi, Takayuki; Sakamoto, Takao Chemical & Pharmaceutical Bulletin, 1981 , vol. 29, # 4 p. 1056 - 1062
Isoquinoline structure

Isoquinoline

CAS#:119-65-3
Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7
Acetophenone structure

Acetophenone

CAS#:98-86-2

~14%

2-acetyl-1-(2-oxo-2-phenylethyl)-1,2-dihydroisoquinoline structure

2-acetyl-1-(2-o...

CAS#:63488-74-4
Detail
Literature: Yamanaka, Hiroshi; Shiraishi, Takayuki; Sakamoto, Takao Chemical & Pharmaceutical Bulletin, 1981 , vol. 29, # 4 p. 1056 - 1062
Isoquinoline structure

Isoquinoline

CAS#:119-65-3
lepidine structure

lepidine

CAS#:491-35-0
Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7

~2%

(2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER Structure

(2-[4-BENZYL-PI...

CAS#:58246-00-7

Detail
Literature: Yamanaka, Hiroshi; Shiraishi, Takayuki; Sakamoto, Takao Chemical & Pharmaceutical Bulletin, 1981 , vol. 29, # 4 p. 1056 - 1062
Isoquinoline structure

Isoquinoline

CAS#:119-65-3
Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7
Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

~2%

1-(2-acetyl-1H-isoquinolin-1-yl)propan-2-one structure

1-(2-acetyl-1H-...

CAS#:58245-86-6
Detail
Literature: Yamanaka, Hiroshi; Shiraishi, Takayuki; Sakamoto, Takao Chemical & Pharmaceutical Bulletin, 1981 , vol. 29, # 4 p. 1056 - 1062
Isoquinoline structure

Isoquinoline

CAS#:119-65-3
Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7
Diethyl malonate structure

Diethyl malonate

CAS#:105-53-3

~4%

(2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER Structure

(2-[4-BENZYL-PI...

CAS#:58246-00-7

Detail
Literature: Yamanaka, Hiroshi; Shiraishi, Takayuki; Sakamoto, Takao Chemical & Pharmaceutical Bulletin, 1981 , vol. 29, # 4 p. 1056 - 1062

 Customs

HS Code 2933499090
Summary 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-Acetyl-1,2-dihydroisochinolin-1-essigsaeure
2-Acyl-1,2-dihydroisochinolin-essigsaeure
2-acetyl-1,2-dihydroisoquinoline-1-acetic acid
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Chemsrc provides CAS#:58246-00-7 MSDS, density, melting point, boiling point, structure, etc. Its name is (2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER>> amp version: (2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER

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