3-tert-부톡시카르보닐라미노-티오펜-2-카르복실산메틸에스테르

Methyl 3-((tert-butoxycarbonyl)amino)thiophene-2-carboxylate

HCID 18925408

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 149587-72-4
표준 SMILES: COC(=O)c1sccc1NC(=O)OC(C)(C)C
InChIKey: JEMOHNKXRFEUDT-UHFFFAOYSA-N
분자식: C11H15NO4S
평균 분자량: 257.31 g/mol
단동위원소 질량: 257.07217913

이름 및 식별자

우선 이름: Methyl 3-((tert-butoxycarbonyl)amino)thiophene-2-carboxylate
IUPAC: methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate
현지명: 3-tert-부톡시카르보닐라미노-티오펜-2-카르복실산메틸에스테르
영어명: 3-tert-ButoxycarbonylaMino-thiophene-2-carboxylicacidMethylester
분자식: C11H15NO4S
분자량: 257.31

이름 및 동의어

149587-72-4Methyl 3-((tert-butoxycarbonyl)amino)thiophene-2-carboxylateMFCD01763684methyl 3-[(tert-butoxycarbonyl)amino]thiophene-2-carboxylatemethyl 3-(tert-butoxycarbonylamino)thiophene-2-carboxylate3-tert-Butoxycarbonylamino-thiophene-2-carboxylic acid methyl ester2-thiophenecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl estermethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylateMethyl 3-(Boc-amino)thiophene-2-carboxylate3-tert-ButoxycarbonylaMino-thiophene-2-carboxylicacidMethylestermethyl 3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylateJEMOHNKXRFEUDT-UHFFFAOYSA-N

이름 더 보기

3-tert-부톡시카르보닐라미노-티오펜-2-카르복실산메틸에스테르Methyl 3-(Boc-amino)-2-thiophenecarboxylateMethyl 3-(Boc-amino)thiophene-2-carboxylate 97%3-tert-ButoxycarbonylaMino-thiophene-2-carboxylicac3-(Boc-amino)thiophene-2-carboxylic acid methyl ester3-[(tributyloxy-oxymethyl)amino]-2-thiophenemethyl formatemethyl 3-(tert-butoxycarbonylamino)thiophene-2-carboxylate - [M83072]

Oprea1_080955SCHEMBL2106155DTXSID405965383-tert-Butoxycarbonylaminothiophene-2-carboxylic acid methyl esterALBB-013194STL090030XH0874AKOS005173799

데이터베이스 식별자

CAS: 149587-72-4
PubChem CID: 18925408
DTXSID: DTXSID40596538
EC Number: 694-504-3

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 92.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 300

물리화학적 성질

녹는점: 88 · 88-93°C
끓는 점: 321.2 · 321.2±27.0 °C(Predicted)
밀도: 1.25 · 1.250±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: solid
산도 계수 (pKa): 13.09 · 13.09±0.70(Predicted)
InChI: 1S/C11H15NO4S/c1-11(2,3)16-10(14)12-7-5-6-17-8(7)9(13)15-4/h5-6H,1-4H3,(H,12,14)
InChIKey: JEMOHNKXRFEUDT-UHFFFAOYSA-N
SMILES: COC(=O)c1sccc1NC(=O)OC(C)(C)C