메틸3-아미노-4-메틸벤조에이트

메틸3-아미노-4-메틸벤조에이트
메틸3-아미노-4-메틸벤조에이트 구조식 이미지
카스 번호:
18595-18-1
한글명:
메틸3-아미노-4-메틸벤조에이트
동의어(한글):
메틸3-아미노-4-메틸벤조에이트
상품명:
Methyl 3-amino-4-methylbenzoate
동의어(영문):
AKOS BB-3092;3-Amino-p-toluic;Compound Fr13901;Methyl 3-amino-4-met;Nilotinib Impurity 25;LABOTEST-BB LT00848257;Nilotinib EP Impurity B;3-Amino-4-Methylbenzoate;METHYL 3-AMINO-P-TOLUATE;3-amino-2,4-dimethylbenzoate
CBNumber:
CB4316035
분자식:
C9H11NO2
포뮬러 무게:
165.19
MOL 파일:
18595-18-1.mol
MSDS 파일:
SDS

메틸3-아미노-4-메틸벤조에이트 속성

녹는점
113-117 °C(lit.)
끓는 점
296.3±20.0 °C(Predicted)
밀도
1.132±0.06 g/cm3(Predicted)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
3.31±0.10(Predicted)
물리적 상태
결정성 분말
색상
흰색에서 크림색으로
BRN
2088611
InChIKey
YEPWCJHMSVABPQ-UHFFFAOYSA-N
LogP
1.7 at 22℃ and pH7
CAS 데이터베이스
18595-18-1(CAS DataBase Reference)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi
위험 카페고리 넘버 36/37/38
안전지침서 26-36/37
WGK 독일 3
위험 참고 사항 Irritant
HS 번호 29224999
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P302+P352 피부에 묻으면 다량의 물로 씻으시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
NFPA 704
1
2 0

메틸3-아미노-4-메틸벤조에이트 C화학적 특성, 용도, 생산

개요

Methyl 3-amino-4-methylbenzoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

화학적 성질

Beige powder

용도

Methyl 3-Amino-4-methylbenzoate is used as a reagent in the synthesis of perfluoroalkylated indoles which are very useful in drug development. It was also used in the preparation of 4-(pyrimidin-2-ylamino) benzamide derivatives which are designed as inhibitors of hedgehog signalling pathway (target of cancer treatment).

주요 응용

Methyl 3-amino-4-methylbenzoate can be used for:
To prepare the methyl 4-methyl-3-((4-(proparg-1-yloxy)benzyl)amino)benzoate, 4-proparg-1-yloxybenzaldehyde (16) and methyl 3-amino-4-methylbenzoate were reacted according to the method IA.
Synthesis of Methyl 4-methyl-3-((4-(2-methylthiazol-4-yl)benzoyl)amino)benzoate
Synthesis of 4-Methyl-3-((4-(2-methylthiazol-4-yl)benzoyl)amino)benzamide
Synthesis of methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1 (2H)-yl)-4-methylbenzoate
Synthesis of methyl 3-(4-hydroxy-6-methyl-2-oxopyridin-1 (2H)-yl)-4-methylbenzoate
Synthesis of (5-Carbomethoxy-2-methylphenyl)(4-hydroxypheny)diazene: To a solution of 6N HC1 (6 mL) was added methyl 3-amino-4-methylbenzoate (1.62 g, 10.0 mmol). The solution was cooled in an ice-bath, and was diazotized by adding sodium nitrite (0.9 g, 12.0 mmol). To a cold solution of phenol in 21% aqueous NaOH solution (6 mL) was added diazotized solution slowly. After 20 min, the solution was acidfied by adding 4 N aqueous HC1 and was poured into the cold water, filtered, and washed with water. Recrystallization from ethanol gave the product (2.0 g, 74%) as red crystals, mp 181.3-182.2 °C.

제조 방법

Synthesis of Methyl 3-amino-4-methylbenzoate: Nitro ester Methyl 4-methyl-3-nitrobenzoate (80 g, 0.410 mol) was subjected to hydrogenation in a Parr shaker in MeOH using Raney Ni as the catalyst (5 g, 20 mol %) at 50 psi for 8 hours. The catalyst was filtered off, washed thoroughly with MeOH and the combined filtrates concentrated under reduced pressure to furnish a yellow solid (65.0 g). Yield : 96% Mp : 114-5°C (lit.14 Mp 116°C)

메틸3-아미노-4-메틸벤조에이트 준비 용품 및 원자재

원자재

준비 용품


메틸3-아미노-4-메틸벤조에이트 공급 업체

글로벌( 396)공급 업체
공급자 전화 이메일 국가 제품 수 이점
Yangzhou Qinyuan Pharmatech Co.,ltd
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Capot Chemical Co.,Ltd.
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Henan Tianfu Chemical Co.,Ltd.
+86-0371-55170693 +86-19937530512
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ATK CHEMICAL COMPANY LIMITED
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career henan chemical co
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sales@coreychem.com China 29881 58
HaBo Hong Kong Co., Limited.
+86-25-18512596065
info@habotech.com CHINA 933 58
Chongqing Chemdad Co., Ltd
+86-023-6139-8061 +86-86-13650506873
sales@chemdad.com China 39894 58
Alchem Pharmtech,Inc.
8485655694
sales@alchempharmtech.com United States 63687 58
Shanghai Yingrui Biopharma Co.,Ltd
21-33585366
export01@shyrchem.com CHINA 1319 58

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