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345891-62-5

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  • (3R,5R)-METHYL 7-(2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)-3,5-DIHYDROXYHEPTANOATE

    Cas No: 345891-62-5

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345891-62-5 Usage

Chemical Properties

White Solid

Uses

Different sources of media describe the Uses of 345891-62-5 differently. You can refer to the following data:
1. Atorvastatin impurity. Atorvastatin Methyl Ester
2. Atorvastatin

Check Digit Verification of cas no

The CAS Registry Mumber 345891-62-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,4,5,8,9 and 1 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 345891-62:
(8*3)+(7*4)+(6*5)+(5*8)+(4*9)+(3*1)+(2*6)+(1*2)=175
175 % 10 = 5
So 345891-62-5 is a valid CAS Registry Number.
InChI:InChI=1/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15+/i7D2,8D2,15D

345891-62-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

1.2 Other means of identification

Product number -
Other names methylester of atorvastatin

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:345891-62-5 SDS

345891-62-5Relevant articles and documents

Method for synthesizing atorvastatin ester by using continuous flow tubular reactor

-

Paragraph 0035-0042; 0043-0045; 0051, (2022/03/27)

The invention relates to a method for synthesizing atorvastatin ester by using a continuous flow tubular reactor, which comprises the following steps: (1) mixing a compound 1 with acetonitrile to obtain a material A; (2) uniformly mixing concentrated hydrochloric acid, acetonitrile and water to prepare a diluted hydrochloric acid solution to obtain a material B; (3) the material A and the material B are respectively pumped into a tubular reactor for a chemical reaction, the reaction temperature is 18-28 DEG C, and the reaction time is 40-90 s; and after the reaction is finished, carrying out vacuum concentration, centrifugation, washing and drying on the obtained reaction liquid to obtain the target product, and the specific synthesis route is as follows. By adopting the method disclosed by the invention, the time required by the whole reaction process is extremely short, the reaction condition is mild, and the situation that by-products are generated due to overlong reaction time or overhigh reaction temperature, so that the yield of the target product is high and reaches 97% or above, and the purity of the target product is high and reaches 99% or above is effectively avoided.

Synthesis and evaluation of atorvastatin esters as prodrugs metabolically activated by human carboxylesterases

Mizoi, Kenta,Takahashi, Masato,Haba, Masami,Hosokawa, Masakiyo

supporting information, p. 921 - 923 (2016/05/24)

We synthesized 11 kinds of prodrug with an esterified carboxylic acid moiety of atorvastatin in moderate to high yields. We discovered that they underwent metabolic activation specifically by the human carboxylesterase 1 (CES1) isozyme. The results sugges

Synthesis of some impurities and/or degradation products of atorvastatin

Stach, Jan,Havlicek, Jaroslav,Placek, Lukas,Radl, Stanislav

, p. 229 - 246 (2008/12/22)

Synthesis of some impurities and/or degradation products of atorvastatin, calcium (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl) pyrrol-1-yl]-3,5-dihydroxyheptanoate, is described. These include its desfluoro analog, the corresponding (3S,5S)-and (3S,5R)-epimers, atorvastatin lactone, and some other potential impurities. The synthesized compounds as well as the corresponding intermediates were characterized by 1H NMR, 13C NMR and MS.

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