Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate

HCID 9965968
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기본 정보

CAS
57113-90-3
표준 SMILES
COC(=O)c1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C
InChIKey
VEDIIGMQOAWKGH-UHFFFAOYSA-N
분자식
C13H16N2O6
평균 분자량
296.28 g/mol
단동위원소 질량
296.10083623

이름 및 식별자

우선 이름
Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate
IUPAC
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate
영어명
BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER
분자식
C13H16N2O6
분자량
296.28

이름 및 동의어

Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoateMethyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoateMethyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitrobenzoateMethyl 2-(((1,1-dimethylethoxy)carbonyl)amino)-3-nitrobenzoateRefChem:813115611-470-757113-90-3Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoateMFCD06797690BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTERMethyl 2-(Boc-amino)-3-nitrobenzoatemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate
이름 더 보기
3-nitro-, methyl esterAzilsartan Impurity 51Azilsartan Impurity 95Azilsartan Impurity 133METHYL-2-[(T-BOC)-AMINO]-3-NITROBENZOATEmethyl 2-(tert-butoxycarbonyl)-3-nitrobenzoate2-tertbutoxycarbonylmino-3-nitrobenzoate methylMethyl 2-[(tert-butoxycarbonyl)aMino]-3-nitroben
Methyl 2-((tert-butoxycarbonyl)-amino)-3-nitrobenzoateAC-112692-(Boc-amino)-3-nitrobenzoic Acid Methyl EsterMethyl 2-tert-butoxycarbonylamino-3-nitrobenzoate2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-nitrobenzoic Acid Methyl Estermethyl 2-(N-tert-butoxycarbonylamino)-3-nitrobenzoateMethyl2-((methyl 2-t-butoxycarbonylamino-3-nitrobenzoate

데이터베이스 식별자

CAS
57113-90-3
PubChem CID
9965968
DTXSID
DTXSID60433451
UNII
3M5L5PPB4D
EC Number
611-470-7
Nikkaji
J1.637.644B

물성

구조 계산 물성

XLogP
2.7
극성 표면적
110 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
5
무거운 원자 수
21

물리화학적 성질

녹는점
104 to · 104.0 to 108.0 °C
끓는 점
376.9 · 376.9±32.0 °C(Predicted)
밀도
1.298 · 1.298±0.06 g/cm3(Predicted)
저장 조건
Store at room temperature
용해도
디클로로메탄 에 용해됨
물리적 상태
고체

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.

Not Classified

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 06-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18183
Hazard Classes and CategoriesNot Classified

안전 데이터

HS 번호
2922.49.3700

화학 및 산업

응용 분야

용도Intermediate in the synthesis of nonpeptide angiotensin II receptor antagonists.

상·하류 제품 정보

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

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