METHYL 2-CHLOROPYRIMIDINE-5-CARBOXYLATE
-
METHYL 2-CHLOROPYRIMIDINE-5-CARBOXYLATE
structure -
-
CAS No:
287714-35-6
-
Formula:
C6H5ClN2O2
-
Chemical Name:
METHYL 2-CHLOROPYRIMIDINE-5-CARBOXYLATE
-
Synonyms:
METHYL 2-CHLOROPYRIMIDINE-5-CARBOXYLATE;Methyl 2-chloropyriMidine...;2-Chloropyrimidine-5-carboxylic acid methyl ester;2-Chloro-5-(methoxycarbonyl)pyrimidine, 2-Chloro-5-(methoxycarbonyl)-1,3-diazine;2-chloro-pyrimidine-5-carboxylic acid methyl este;EOS-60344
- Categories:
-
CAS No:
METHYL 2-CHLOROPYRIMIDINE-5-CARBOXYLATE Basic Attributes
172.5691
172.003952
723999
DTXSID90328104
2933599090
Characteristics
52.1
1
White to off-white powder
1.4±0.1 g/cm3
76 °C
304.3℃
138℃
1.534
0.000883mmHg at 25°C
Safety Information
UN2811
20/21/22-36/37/38
22-26-36/37/39
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
METHYL 2-CHLOROPYRIMIDINE-5-CARBOXYLATE Use and Manufacturing
Step 3a. 2-Chloro-pyrimidine-5-carboxylic acid methyl ester (compound 1001-7) The above intermediate (7 g, 0.046 mol) was added to a mixture of concentrated hydrochloric acid (15.2 mL) and CHStep g: Compound 207 (7 g, 0.046 mol) was added to a mixture of concentratedhydrochloric acid (15.2 mL) and CH2C12(60 mL). After cooling, ZnC12 (18.6 g, 0.138mol) was added at 15-20 °C. The mixture was stirred at 15-20 °C for 0.5 h and cooled to 5-10 °C. NaNO2 (9.5 g, 0.138 mol) was added portion wise while keeping the internaltemperature 5-10 °C. The reaction was continued for 2 h. The reaction mixture was poured into ice-water (50 mL). The organic layer was separated and the aqueous phase was extracted with CH2C12 (30 nL*2) The combined organic extracts were concentrated to afford cmde product (4.2 g). The crude compound was suspended in hexane (20 mL), heated at 60 °C for 30 minutes and filtered. The filtrate was concentrated to afford the title compound R-2-2 (3.5 g, 44.4 percent) as an off-white solid. LCMS (m/z): 214.1[M+42f. ‘H1’MR (400 MHz, CDC13): ö 4.00 (s, 3H), 9.15 (s, 2H).2-Chloropyrimidine-5-carboxylic acid (1.00 g)Trimethylsilyl diazomethane (2 M hexane solution, 9.46 mL) was added to a methanol (15 mL) and benzene (37 mL) solution, and the mixture was stirred at room temperature for 30 minutes. After concentrating the reaction solution under reduced pressure, the residue was purified by silica gel column chromatography (ethyl acetate / hexane) to give the title compound (720 mg) as a white solid.
Computed Properties
Molecular Weight:172.57
XLogP3:0.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:172.0039551
Monoisotopic Mass:172.0039551
Topological Polar Surface Area:52.1
Heavy Atom Count:11
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of METHYL 2-CHLOROPYRIMIDINE-5-CARBOXYLATE
-
![China]()
CN
5 YRS
Business licensedTrader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives -
![China]()
CN
4 YRS
Business licensed Certified factoryManufactory Supplier of Active Pharm Ingredients,Chemical Catalyst,Pharmaceutical Intermediates,Flavors and Fragrances,Agrochemicals,Chemical Pesticides,Organic Intermediates,OLED IntermediatesInquiryCAS No.: 287714-35-6Grade: Pharmaceutical GradeContent: 99%
Learn More Other Chemicals
-
2-Cyclobutene-1-carboxylic acid, 4-(chlorocarbonyl)-, methyl ester, cis- (9CI)
139591-41-6
-
Cyclopentanecarboxylic acid, 2-(hydroxyimino)-, methyl ester (9CI)
170016-09-8
-
Cyclopentanecarboxylic acid, 2-hydroxy-, methyl ester, (1R,2R)- (9CI)
124150-22-7
-
Cyclopenta[b]pyrrole-2-carboxylic acid, octahydro-, methyl ester, [2R-(2-alpha-,3a-ba-,6a-ba-)]- (9CI) Formula
156557-90-3
-
Cyclohexanecarboxylic acid, 2-(acetylamino)-, methyl ester, cis- (9CI) Formula
193635-12-0
-
D-arabino-Pentodialdo-5,2-furanoside, methyl 3,4-O-(1-methylethylidene)- (9CI) Formula
821792-69-2
-
Cysteine, 2-methyl-, methyl ester (9CI) Structure
778548-47-3
-
Cyclopropanecarboxylic acid, 2-(1-methylethenyl)-, methyl ester, trans-(-)- Structure
52148-73-9
-
What is D-Glucuronal 3,4-Diacetate Methyl Ester
34296-99-6
-
What is 4-(4,5-di[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)phenyl methyl sulfide
312320-17-5
METHYL 2-CHLOROPYRIMIDINE-5-CARBOXYLATE
SDSRequest for Quotation