Methyl 3-amino-4-methylbenzoate

한글명:Methyl 3-amino-4-methylbenzoate

카스 번호18595-18-1

상품명:Methyl 3-amino-4-methylbenzoate

CBNumberCB4316035

분자식C9H11NO2

포뮬러 무게165.19

MOL 파일18595-18-1.mol

화학적 성질

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)

위험 및 안전 성명

위험품 표기

위험 카페고리 넘버

36/37/38

안전지침서

26-36/37

WGK 독일

위험 참고 사항

Irritant

HS 번호

29224999

NFPA 704:

	1
2		0

그림문자(GHS)

Methyl 3-amino-4-methylbenzoate 화학적 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 (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)

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