CAS 150986-83-7 tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate (HCID 2763861)

기본 정보

CAS: 150986-83-7
표준 SMILES: CC(C)(C)OC(=O)N1CCc2c(sc(N)c2C#N)C1
InChIKey: HFWVFBQVIXKINU-UHFFFAOYSA-N
분자식: C13H17N3O2S
평균 분자량: 279.36 g/mol
단동위원소 질량: 279.10414778

이름 및 식별자

우선 이름: tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
IUPAC: tert-butyl 2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
영어명: tert-Butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
분자식: C13H17N3O2S
분자량: 279.36

이름 및 동의어

150986-83-7tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylatetert-Butyl 2-amino-3-cyano-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylateMFCD05664037tert-butyl 2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate2-amino-6-Boc-3-cyano-4,7-dihydro-5H-thieno[2,3-c]pyridinetert-Butyl 2-amino-3-cyano-4,7-dihydrothieno-[2,3-c]pyridine-6(5H)-carboxylateCHEMBL595295TERT-BUTYL 2-AMINO-3-CYANO-4H,5H,6H,7H-THIENO[2,3-C]PYRIDINE-6-CARBOXYLATEThieno[2,3-c]pyridine-6(5H)-carboxylic acid, 2-amino-3-cyano-4,7-dihydro-, 1,1-dimethylethyl esterHFWVFBQVIXKINU-UHFFFAOYSA-N2-AMINO-3-CYANO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRIDINE-6-CARBOXYLIC ACID TERT-BUTYL ESTER

이름 더 보기

2-Amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile, N6-BOC protected2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester

2-AMINO-6-BOC-3-CYANO-4,5-DIHYDROTHIENO[2,3-C]PYRIDINESCHEMBL2643671DTXSID90377177HMS1772A04BDBM50304475SBB078290AKOS001219486SY168015

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 108 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 412

물리화학적 성질

녹는점: 193 · 193-195°C
끓는 점: 475.8 · 475.8±45.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): -0.34 · -0.34±0.20(Predicted)

안전 및 규제

안전 데이터

HS 번호: 2934999090
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도Tert-butyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5h)-carboxylate is used as a reactant in the preparation of cyanotetrahydrobenzothienylamides as inhibitors of JNK2 and JNK3.