CAS
832114-07-5 Purity
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832114-07-5 Purity
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1-(Thiophen-2-ylmethyl)pyrazole-4-boronic acid pinacol ester
CAS
864754-19-8
Catalog Number
ACM864754198-1
Category
Other
Molecular Weight
290.2g/mol
Molecular Formula
C14H19BN2O2S
If you have any other questions or need other size, please get a quote.
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Specification
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(thiophen-2-ylmethyl)pyrazole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3=CC=CS3
InChI
InChI=1S/C14H19BN2O2S/c1-13(2)14(3,4)19-15(18-13)11-8-16-17(9-11)10-12-6-5-7-20-12/h5-9H,10H2,1-4H3
InChI Key
ANSBFDYOIUZSNT-UHFFFAOYSA-N
Complexity
351
Covalently-Bonded Unit Count
1
Exact Mass
290.126029g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
20
Monoisotopic Mass
290.126029g/mol
Rotatable Bond Count
3
Downstream Synthesis Route 1
- 864754-19-8
- 1350917-83-7
- 1350917-85-9
Reference: [1]Current Patent Assignee: MERCK & CO INC - WO2011/149874, 2011, A2
Location in patent: Page/Page column 54-55
Downstream Synthesis Route 2
- 864754-19-8
- 1365174-19-1
- 1365174-61-3
Reference: [1]Current Patent Assignee: MERCK & CO INC - WO2012/36974, 2012, A1
Location in patent: Page/Page column 52-53
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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