3-Chloromethyl-1,2,4-triazolin-5-one

Name: 3-Chloromethyl-1,2,4-triazolin-5-one
SKU: ACM252742726
Rating: 5 (1 reviews)

CAS

252742-72-6

Catalog Number

ACM252742726

Category

Other Products

Molecular Weight

133.54

Molecular Formula

C₃H₄ClN₃O

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Specification

Synonyms

5-CHLOROMETHYL-2,4-DIHYDRO-[1,2,4]TRIAZOL-3-ONE;5-(CHLOORMETHYL)-1,2-DIHYDRO-3H-1,2,4-TRIAZOOL-3-ON;3-Chloromethyl-1,2,4-triazol-5-one;3-Chloromethyl-1,2,4-triazolin-5-one;3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one

IUPAC Name

5-(chloromethyl)-1,2-dihydro-1,2,4-triazol-3-one

Canonical SMILES

C(C1=NC(=O)NN1)Cl

InChI Key

ZLRBJVJEQXBAAI-UHFFFAOYSA-N

Density

1.83 g/cm³

EC Number

607-678-2

Exact Mass

133.00400

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

563-41-7
74974-54-2

252742-72-6

Reference: [1] Tetrahedron Letters, 2000, vol. 41, # 44, p. 8661 - 8664
[2] Patent: US2012/28939, 2012, A1, . Location in patent: Page/Page column 27
[3] Patent: WO2011/92128, 2011, A1, . Location in patent: Page/Page column 51-52
[4] Patent: WO2014/139328, 2014, A1, . Location in patent: Page/Page column 614
[5] Patent: WO2006/133426, 2006, A2, . Location in patent: Page/Page column 276

Upstream Synthesis Route 2

24021-90-7

252742-72-6

Reference: [1] Tetrahedron Letters, 2000, vol. 41, # 44, p. 8661 - 8664
[2] Patent: US6297376, 2001, B1,
[3] Patent: WO2017/106062, 2017, A1, . Location in patent: Page/Page column 65

Upstream Synthesis Route 3

74974-54-2

252742-72-6

Reference: [1] Patent: US2003/187274, 2003, A1,

Upstream Synthesis Route 4

563-41-7
74974-54-2

252742-72-6

Reference: [1]Tetrahedron Letters,2000,vol. 41,p. 8661 - 8664
[2]Patent: US2012/28939,2012,A1 .Location in patent: Page/Page column 27
[3]Patent: WO2011/92128,2011,A1 .Location in patent: Page/Page column 51-52
[4]Patent: WO2014/139328,2014,A1 .Location in patent: Page/Page column 614
[5]Patent: WO2006/133426,2006,A2 .Location in patent: Page/Page column 276