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Structure

5-Pyrimidineaceticacid, 4-chloro-2-(methylthio)-, ethyl ester

CAS
61727-34-2
Catalog Number
ACM61727342
Category
Other Products
Molecular Weight
246.7138
Molecular Formula
C9H11 Cl N2 O2 S

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Specification

Synonyms
NSC165400, CID295792, 61727-34-2
IUPAC Name
ethyl 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)acetate
Canonical SMILES
CCOC(=O)CC1=CN=C(N=C1Cl)SC
InChI Key
NJCDAOMVXVONIU-UHFFFAOYSA-N
Boiling Point
345.8ºC at 760mmHg
Flash Point
162.9ºC
Density
1.32g/cm³
Exact Mass
246.02300
H-Bond Acceptor
4
H-Bond Donor
0

Upstream Synthesis Route 1

  • 29571-44-6
  • 61727-34-2

Reference: [1] Patent: WO2009/152027, 2009, A1, . Location in patent: Page/Page column 22; 25

Upstream Synthesis Route 2

  • 5472-38-8
  • 61727-34-2

Reference: [1] Monatshefte fur Chemie, 2016, vol. 147, # 4, p. 767 - 773
[2] Patent: WO2016/22644, 2016, A1,
[3] Patent: WO2009/152027, 2009, A1,

Upstream Synthesis Route 3

  • 123-25-1
  • 61727-34-2

Reference: [1] Patent: WO2016/22644, 2016, A1,

Upstream Synthesis Route 4

  • 29571-44-6
  • 61727-34-2

Reference: [1]Patent: WO2009/152027,2009,A1 .Location in patent: Page/Page column 22; 25

Downstream Synthesis Route 1

  • 61727-34-2
  • 74-88-4
  • 1201362-85-7

Reference: [1]Patent: WO2009/152027,2009,A1 .Location in patent: Page/Page column 22; 25-26

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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