Ethyl 5-aminobenzofuran-2-carboxylate

HCID 9837138CAS 174775-48-5

기본 정보

표준 SMILES: CCOC(=O)c1cc2cc(N)ccc2o1
InChIKey: YFFLLDHEEWSHQG-UHFFFAOYSA-N
분자식: C11H11NO3
평균 분자량: 205.21 g/mol
단동위원소 질량: 205.07389321

이름 및 식별자

우선 이름: Ethyl 5-aminobenzofuran-2-carboxylate
IUPAC: ethyl 5-amino-1-benzofuran-2-carboxylate
영어명: Ethyl 5-aminobenzofuran-2-carboxylate
분자식: C11H11NO3
분자량: 205.21

이름 및 동의어

174775-48-5Ethyl 5-aminobenzofuran-2-carboxylate2-BENZOFURANCARBOXYLIC ACID, 5-AMINO-, ETHYL ESTERQNA7K2K6RXDTXSID60431558RefChem:138811DTXCID10382389Ethyl 5-Amino-1-benzofuran-2-carboxylateMFCD08275091Ethyl 5-aminobenzo[b]furan-2-carboxylateUNII-QNA7K2K6RX5-aminobenzofuran-2-carboxylic acid ethyl ester

이름 더 보기

5-Amino-2-(ethoxycarbonyl)-1-benzofuran, Ethyl 5-amino-1-benzofuran-2-carboxylateVilazodone INT 5ETHYL 5-AMINOBENZOFURAN-2-CARBOXYLAT5-Amino-2-(ethoxycarbonyl)-1-benzofura5-Amino-2-(ethoxycarbonyl)-1-benzofuranethyle5-aminobenzo[b]furan-2-carboxylateEthyl 5-amino-1-benzofuran-2-carboxylate (en)Ethyl-5-amino--1-benzofuran-2-carboxylate Hcl

CS-M1412CB-0818PB17511AC-258765-AMINO-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTERethyl 5-aminobenzo[d]furan-2-carboxylate5-Aminobenzofuran-2-carboxylic acid ethyl ester; Ethyl 5-aminobenzofuran-2-carboxylate;ethyl-5-amino-1-benzofuran-2-carboxylate

데이터베이스 식별자

CAS: 174775-48-5
PubChem CID: 9837138
DTXSID: DTXSID60431558
UNII: QNA7K2K6RX
EC Number: 808-229-5
Nikkaji: J3.482.617J

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 244

물리화학적 성질

녹는점: 54 · 54-56°C
끓는 점: 348.1 · 348.1±22.0 °C(Predicted)
밀도: 1.258 · 1.258±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: soluble in Chloroform, DMSO
물리적 상태: 가루
산도 계수 (pKa): 3.32 · 3.32±0.10(Predicted)
색상: 베이지색

화학적 성질

Brown Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 2932990090
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도Ethyl 5-aminobenzofuran-2-carboxylate is used as an synthetic intermediate in the preparation of indolebutylpiperazines, a class of dual 5-HT1A receptor agonists and serotonin reuptake inhibitors. Ethyl 5-amino-1-benzofuran-2-carboxylate was also used as a potential radiolabelled analog for melanoma imaging and targeted radiotherapy.