CAS
4994-13-2 Purity
96%
4994-13-2 Purity
96%
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Benzo[d]thiazol-6-ylboronic acid
CAS
499769-91-4
Catalog Number
ACM499769914
Category
Other Products
Molecular Weight
179.0
Molecular Formula
C7H6BNO2S
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Specification
Synonyms
1,3-benzothiazol-6-ylboronic acid, 499769-91-4, benzo[d]thiazol-6-ylboronic acid, Benzo[D]Thiazol-6-YlboronicAcid, 6-BENZOTHIAZOLYL-BORONIC ACID, AC1NFGHJ, ACMC-209kj6, CTK4J1846, MolPort-004-750-161, BENZOTHIAZOLE-6-BORONIC ACID, 1,3-Benzothiazol-6-ylboronic acid,, ANW-30880, AKOS006291913, AB22393, AG-F-67269, BORONIC ACID, 6-BENZOTHIAZOLYL-, AK-91682, KB-10278, A-5723, I14-14633
IUPAC Name
1,3-benzothiazol-6-ylboronic acid
Canonical SMILES
B(C1=CC2=C(C=C1)N=CS2)(O)O
InChI Key
HGXFPSLIIZOVMB-UHFFFAOYSA-N
Melting Point
163.6ºC
Exact Mass
179.02100
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
4
H-Bond Donor
2
Safety Description
S26-S37/39
Upstream Synthesis Route 1
- 53218-26-1
- 5419-55-6
- 499769-91-4
Reference: [1] Patent: WO2014/151147, 2014, A1, . Location in patent: Paragraph 00154
Upstream Synthesis Route 2
- 95-16-9
- 499769-91-4
Reference: [1] Patent: US2014/357651, 2014, A1,
Upstream Synthesis Route 3
- 2942-06-5
- 499769-91-4
Reference: [1] Patent: US2014/357651, 2014, A1,
Upstream Synthesis Route 4
- 95-16-9
- 499769-91-4
Reference: [1]Patent: US2014/357651,2014,A1
Upstream Synthesis Route 5
- 2942-06-5
- 499769-91-4
Reference: [1]Patent: US2014/357651,2014,A1
Downstream Synthesis Route 1
- 1532-97-4
- 499769-91-4
- 1610790-53-8
Reference: [1]ACS Medicinal Chemistry Letters,2014,vol. 5,p. 760 - 765
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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