Methyl isonipecotate (HCID 424914)

이름 및 식별자

우선 이름: Methyl isonipecotate
IUPAC: methyl piperidine-4-carboxylate
현지명: 메틸이소니페코트
영어명: Methyl isonipecotate
분자식: C7H13NO2
분자량: 143.18

이름 및 동의어

Methyl isonipecotateRefChem:817809629-683-92971-79-1methyl piperidine-4-carboxylateMethyl 4-piperidinecarboxylate4-Piperidinecarboxylic acid, methyl esterIsonipecotic Acid Methyl Ester4-piperidinecarboxylic acid methyl esterpiperidine-4-carboxylic acid methyl esterMFCD00190578methylpiperidine-4-carboxylate

이름 더 보기

메틸이소니페코트Methyl Isonipecoticpiperidine-4-carboxyLMethyl isonipecotinateMethyl isononylformateIsonipecotic acid methyl

methylisonipecotatemethyl isonipecotate hydrochlorideMethyl piperidin-4-carboxylate4-Piperidinecarboxylic Acid Methyl Ester; 4-(Methoxycarbonyl)piperidine; Methyl 4-Piperidinecarboxylate; Methyl Isonipecotate; Methyl Isonipecotinate;4-methoxycarbonylpiperidineSCHEMBL5163methyl-4-piperidinecarboxylateIsonipecotic acid methvl ester

데이터베이스 식별자

CAS: 2971-79-1
PubChem CID: 424914
EC Number: 629-683-9
Nikkaji: J27.970F

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 119

실험 및 물리화학적 성질

SpringerMaterials PropertiesDielectric constant

물리화학적 성질

끓는 점: 85 · 85-90 °C (lit.)
밀도: 1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
굴절률: 1.465 · 1.465
인화점: 192 °F · 192°F
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 9.78 · 9.78±0.10(Predicted)
색상: 무색~황색
수용성: 물에 약간 용해됩니다.
InChI: 1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3
InChIKey: RZVWBASHHLFBJF-UHFFFAOYSA-N
SMILES: COC(=O)C1CCNCC1

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (10.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (10.9%)

안전 데이터

wgk: 3
ridadr: 3267
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Methyl isonipecotate may be used for the synthesis of a series of potent non-urea soluble epoxide hydrolase (sEH) inhibitors via high throughput screens.

일반 설명Methyl isonipecotate can be obtained by the reduction of methyl isonicotinate in methanol with ruthenium at 100-150°C.

상·하류 제품 정보

상류 원료

4-Piperidinecarboxylic acid, 1-(triphenylmethyl)-, methyl ester CERIC 암모늄 질산 디클로로메탄 물 아세트산(빙초산)

하류 제품

4-(3-Isopropyl-1,2,4-oxadiazol-5-yl)piperidine 4-N-BOC-Aminopiperidine 벤질4-(클로로카르보닐)테트라히드로-1(2H)-피리딘카르복실레이트 tert-Butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate 2-(4-피페리딜)-2-프로판올 N-Methyl-4-piperidinecarboxylic acid methyl ester 1-(2-시아노페닐)-4-피페리딘카르복실산 4-Piperidinecarboxylic acid, 1-[(4-methoxyphenyl)methyl]-, methyl ester 메틸1-(4-니트로페닐)-4-피페리딘카르복실레이트 N-Boc-피페리딘-4-카르복실산메틸에스테르 4-피퍼리딘카르복사미드

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

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