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

Modify Date: 2025-08-31 17:30:52

(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
InChIKey OVJMQMJXWCLLKF-UHFFFAOYSA-N
SMILES CC(=O)N1C=Cc2ccccc2C1CC(=O)O

 Safety Information

HS Code 2933499090

 Synthetic Route

~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

~25%

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

~6%

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

~14%

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

~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

~2%

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

~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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