| Identification | More | [Name]
METHYL 4-(BROMOMETHYL)-3-METHOXYBENZOATE | [CAS]
70264-94-7 | [Synonyms]
)-3-methoxybenzoate
Methyl 4-(Bromomethyl)-m-anisate
METHYL4-BROMOETHYL-3-METHOXYBENZOATE
METHYL 3-METHOXY-4-BROMOMETHYLBENZOATE
METHYL 4-(BROMOMETHYL)-3-METHOXYBENZOATE
METHYL3-METHOXY-4-(BROMOMETHYL)BENZONATE
Methyl 4-(bromomethyl)-3-methoxybenzonate
Methyl4-(Bromomethyl)-3-methoxybenzoate>
4-(Bromomethyl)-m-anisic Acid Methyl Ester
4-Brommethyl-3-methoxybenzoesuremethylester
Methyl 4-brome methyl-3-methoxy benzoate
Methyl 4-(bromomethyl)-3-(methyloxy)benzoate
Methyl 4-(bromomethyl)-3-methoxybenzoate 98%
4-BROMOMETHYL-3-METHOXY-BENZOIC ACID METHYL ESTER
3-METHOXY-4-(BROMOMETHYL)BENZOIC ACID METHYL ESTER
Benzoic acid, 4-(bromomethyl)-3-methoxy-, methyl ester | [EINECS(EC#)]
410-310-1 | [Molecular Formula]
C10H11BrO3 | [MDL Number]
MFCD00270115 | [Molecular Weight]
259.1 | [MOL File]
70264-94-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
92-94°C | [Boiling point ]
324.2±32.0 °C(Predicted) | [density ]
1.432 | [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
Chloroform (Sparingly), Methanol (Slightly) | [form ]
powder to crystal | [color ]
White to Light yellow | [InChI]
InChI=1S/C10H11BrO3/c1-13-9-5-7(10(12)14-2)3-4-8(9)6-11/h3-5H,6H2,1-2H3 | [InChIKey]
UXSNXOMMJXTFEG-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=CC=C(CBr)C(OC)=C1 | [CAS DataBase Reference]
70264-94-7(CAS DataBase Reference) |
| Questions And Answer | Back Directory | [Preparation]
Methyl 4-(bromomethyl)-3-methoxybenzoate is prepared by the following steps:A mixture of methyl 3-methoxy-4-methylbenzoate 37 (5 g, 27.8 mmol), NBS (4.94 g, 27.8 mmol), and benoyl peroxide (0.0008 g, 0.003 mmol) was refluxed in CCl4 (25 ml) for 10 hours. The reaction mixture was allowed to cool and filtered. The residue was washed with CCl4 and the combined filtrate concentrated in vacuo. Purification by column chromatography over silica gel (5-10% EtOAc-pet ether) furnished a colourless solid (7.19 g).Yield : 100% |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,N | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R43:May cause sensitization by skin contact.
R41:Risk of serious damage to eyes.
R38:Irritating to the skin. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S60:This material and/or its container must be disposed of as hazardous waste . | [RIDADR ]
UN 2811 6.1/PG 3 | [WGK Germany ]
3 | [REACH Registrations]
Inactive | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
2918999090 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1 |
| Hazard Information | Back Directory | [Uses]
Methyl 4-(Bromomethyl)-3-methoxybenzoate is an intermediate used to prepare heteroarylphenyloxoacetyl and heteroarylphenylsulfonyl benzoylpiperazine analogs of BMS 378806 as HIV entry inhibitors. It is also used to synthesize steroid 5α-reductase inhibiting acylpiperidines. | [Synthesis]
Step 1: Methyl 4-methyl-3-methoxybenzoate (1.00 g, 5.55 mmol), N-bromosuccinimide (1.09 g, 6.10 mmol) and catalytic amount of 2,2'-azobisisobutyronitrile (AIBN) were mixed in carbon tetrachloride (40 ml) and the reaction was carried out at reflux for 16 hours. After completion of the reaction, the reaction mixture was filtered and the resulting filtrate was washed with brine (25 ml), dried over anhydrous sodium sulfate and concentrated under reduced pressure to give methyl 4-bromomethyl-3-methoxybenzoate (1.4 g, 97% yield). | [References]
[1] European Journal of Medicinal Chemistry, 1997, vol. 32, # 7-8, p. 547 - 570
[2] Patent: WO2009/55077, 2009, A1. Location in patent: Page/Page column 391-392
[3] Synlett, 2014, vol. 25, # 17, p. 2485 - 2487
[4] Patent: WO2005/105802, 2005, A1. Location in patent: Page/Page column 120-121
[5] Patent: US6391901, 2002, B1 |
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