407593

Methyl 4-bromobenzoate

99%

• 동의어(들): 1-Bromo-4-(methoxycarbonyl)benzene, 4-Bromobenzoic acid methyl ester, 4-Methoxycarbonyl-1-bromobenzene, 4-Methoxycarbonylphenyl bromide, Methyl p-bromobenzoate, p-Bromobenzoic acid methyl ester
• Linear Formula: BrC₆H₄CO₂CH₃
• CAS Number: 619-42-1
• Molecular Weight: 215.04
• Beilstein: 2045132
• EC Number: 210-596-6
• MDL number: MFCD00013531
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24865465
• NACRES: NA.22

속성

• Quality Level: 100
• 분석: 99%
• 형태: powder
• mp: 77-81 °C (lit.)
• 작용기: bromo; ester
• SMILES string: COC(=O)c1ccc(Br)cc1
• InChI: 1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
• InChI key: CZNGTXVOZOWWKM-UHFFFAOYSA-N

설명

일반 설명

Methyl 4-bromobenzoate is a para-substituted aryl bromide. Mol­ecules of methyl 4-bromobenzoate are almost planar. The compound is isostructural with methyl 4-iodo­benzoate. The Zeeman effect on the N.Q.R. (nuclear quadrupole resonance) of methyl 4-bromobenzoate on single crystals, has been investigated by the ′geometric method′.

애플리케이션

Methyl 4-bromobenzoate may be used in the following syntheses:

• Three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogs, employed as antifolates.
• Methyl 4-tri-n-butylstannylbenzoate.
• Methyl 4-(2-pyridyl)benzoate by cross coupling reaction with lithium 2-pyridyltriolborate.
• Methyl 4-imidazo[1,2-a]pyridin-3-ylbenzoate by ligand-free Pd(OAc)₂ catalyzed reaction with Imidazo[1,2-a]pyridine.
• Methyl (E)-4-[3-(2-methoxycarbonylvinyl)-thiophen-2-yl]acrylate by reacting with methyl (E)-3-(thiophen-3-y)lacrylate.

안전성 정보

• 픽토그램: GHS07
• 신호어: Warning
• 유해 및 위험 성명서: H315,H319,H335
• 예방조치 성명서: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• 표적 기관: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• 개인 보호 장비: dust mask type N95 (US), Eyeshields, Gloves