Detail of "95-46-5"

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CAS Number:
95-46-5
Name:
Benzene,1-bromo-2-methyl-
Superlist Name:
2-Bromotoluene
Molecular Structure:
Formula:
C₇H₇Br
Molecular Weight:
171.05
Synonyms:
Toluene,o-bromo- (8CI);1-Bromo-2-methylbenzene;2-Bromo-1-methylbenzene;2-Bromotoluene;2-Methyl-1-bromobenzene;2-Methylbromobenzene;2-Methylphenylbromide;2-Tolyl bromide;NSC 6532;o-Bromomethylbenzene;o-Bromotoluene;o-Methylbromobenzene;o-Methylphenyl bromide;o-Tolyl bromide;
EINECS:
202-421-7
Density:
1.403 g/cm³
Melting Point:
-27 °C
Boiling Point:
180.8 °C at 760 mmHg
Flash Point:
67.1 °C
Solubility:
<0.1 g/100 mL at 15 °C in water
Appearance:
liquid
Hazard Symbols:
Xn, Xi
Risk Codes:
22-36/37/38
Safety:
36/37/39-37/39-26 Details

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Reference

Preparation of substituted piperidines as NK1 receptor ligands: Alvaro, Giuseppe; Cardullo, Francesca; Di, Fabio Romano; Giovannini, Riccardo; Piga, Elisabetta; Tranquillini, Maria Elvira (Glaxo Group Limited; Di Fabio, Romano, UK).Some chemicals with cas registry numbers like 644982-11-6 and 95-46-5 are also used. PCT Int. Appl. WO 2004005256 A2 15 Jan 2004, 129 pp. DESIGNATED STATES: W: AE, AG, AL, AM, AT, AU, AZ, BA, BB, BG, BR, BY, BZ, CA, CH, CN, CO, CR, CU, CZ, DE, DK, DM, DZ, EC, EE, ES, FI, GB, GD, GE, GH, GM, HR, HU, ID, IL, IN, IS, JP, KE, KG, KP, KR, KZ, LC, LK, LR, LS, LT, LU, LV, MA, MD, MG, MK, MN, MW, MX, MZ, NI, NO, NZ, OM, PG, PH, PL, PT, RO, RU, SC, SD, SE, SG, SK, SL, SY, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN, YU, ZA, ZM, ZW, AM, AZ, BY, KG, KZ, MD, RU; RW: AT, BE, BF, BJ, CF, CG, CH, CI, CM, CY, DE, DK, ES, FI, FR, GA, GB, GR, IE, IT, LU, MC, ML, MR, NE, NL, PT, SE, SN, TD, TG, TR. (English). (World Intellectual Property Organization). CODEN: PIXXD2. CLASS: ICM: C07D211-34. ICS: C07D211-64; C07D223-04; C07D223-06. APPLICATION: WO 2003-EP7127 2 Jul 2003. PRIORITY: GB 2002-15393 3 Jul 2002; GB 2003-6454 20 Mar 2003. DOCUMENT TYPE: Patent CA Section: 27 (Heterocyclic Compounds (One Hetero Atom)) Section cross-reference(s): 1, 63 Title compds. I [R = alkyl, cyano, alkoxy, etc.; R1 = H, halo, cycloalkyl, OH, etc.; R2 = H, alkyl; R3-4 = H, CN, alkyl, etc.; R5 = CF3, SO0-2, alkyl, etc.; R6 = H, alkyl; m = 1-4; n = 1-2; p = 0-3; q = 1-3] are prepd. For instance, 4-carboxymethyl-4-(4-fluorophenyl)piperidine-1-carboxylic acid tert-Bu ester (prepn. given) is coupled to 3,5- (DMF, EDCI, HOBt) and deprotected (CH2Cl2, TFA) to give II. Example compds. inhibit (rat) serotonin transporter with pIC50 in the range of 7.50 - 5.30. I are useful in the treatment of conditions mediated by tackykinins and/or by selective inhibition of serotonin reuptake transporter protein. .

Specific ortho-bromination: Specific ortho-bromination. I. Preparation of ortho-bromo substituted benzenes. Meidar, D.; Halpern, Yuval (Casali Inst. Appl. Chem., Hebrew Univ., Jerusalem, Israel). J. Appl. Chem. Biotechnol., 26(11), 590-4 (English) 1976. CODEN: JACBBD. DOCUMENT TYPE: Journal CA Section: 25 (Noncondensed Aromatic Compounds) The benzenes PhR (R = Me, Cl, Br, Et), and o- and m-xylene, were treated with Me2C:CH2 in H2SO4 at -10.degree., the introduced Me3C moiety serving as a shielding and blocking group. The tert-butylated derivs. were brominated (78-87%) with Br-CCl4 at <30.degree. 108-86-1 and 95-46-5 which are cas registry numbers of substances are two of reagents here. in the presence of powd. Fe, and the tert-Bu group was removed by transalkylation using AlCl3 catalyst and C6H6, PhMe, m-Me2C6H4, PhF, PhCl, or PhBr as acceptor. Proper choice of acceptor gave a tert-butylated arom. suitable for recycle to the bromination step. .

Detail of "95-46-5"

Benzene,1-bromo-2-methyl-

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Reference