2-Amino-4-Chlorobenzothiazole

• CAS: 19952-47-7
• Catalog Number: ACM19952477
• Category: Other Products
• Molecular Weight: 184.64
• Molecular Formula: C₇H₅N₂ClS
• Synonyms: 2-Benzothiazolamine, 4-chloro-, 2-AMINO-4-CHLOROBENZOTHIAZOLE, 4-Chlorobenzothiazol-2-ylamine, Benzothiazole, 2-amino-4-chloro-, MLS000678672, MLS002152865, 133434_ALDRICH, EINECS 243-439-5, CID29872, NSC44404, BRN 0136784, 4-Chloro-1,3-benzothiazol-2-amine, LS-980, SBB000250, ZINC00119425, NCGC00091638-01, SMR000323910, 4-27-00-04859 (Beilstein Handbook Reference), 19952-47-7, InChI=1/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10
• IUPAC Name: 4-chloro-1,3-benzothiazol-2-amine
• Canonical SMILES: C1=CC2=C(C(=C1)Cl)N=C(S2)N
• InChI Key: OEQQFQXMCPMEIH-UHFFFAOYSA-N
• Boiling Point: 344.3ºC at 760mmHg
• Melting Point: 203-208ºC
• Flash Point: 162ºC
• Density: 1.532g/cm³
• Appearance: white to light beige or greyish crystalline powder
• EC Number: 243-439-5
• Exact Mass: 183.98600
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Safety Description: S24/25
• WGK Germany: 2

Synthetic Use

Upstream Synthesis Route 1

• 5344-82-1

• 19952-47-7

Reference: [1]Helvetica Chimica Acta,1980,vol. 63,p. 682 - 692

Downstream Synthesis Route 1

• 19952-47-7

• 3622-40-0

Reference: [1] Chemistry - A European Journal, 2018, vol. 24, # 55, p. 14622 - 14626
[2] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 3, p. 1201 - 1212
[3] Patent: WO2018/13774, 2018, A1, . Location in patent: Page/Page column 685
[4] Organic Letters, 2015, vol. 17, # 15, p. 3722 - 3725

Downstream Synthesis Route 2

• 19952-47-7
• 7787-70-4

• 3622-40-0

Reference: [1] Patent: EP1346982, 2003, A1,

Downstream Synthesis Route 3

• 19952-47-7
• 7787-70-4

• 3622-40-0

Reference: [1] Patent: US5371093, 1994, A,

Downstream Synthesis Route 4

• 19952-47-7

• 3622-30-8

Reference: [1]Chemistry - A European Journal,2018,vol. 24,p. 14622 - 14626
[2]Patent: WO2013/101974,2013,A1 .Location in patent: Paragraph 00586; 00588
[3]Patent: US9617268,2017,B2 .Location in patent: Page/Page column 321; 322
[4]Gazzetta Chimica Italiana,1964,vol. 94,p. 372 - 381
[5]Chemistry and biodiversity,2011,vol. 8,p. 253 - 265

Downstream Synthesis Route 5

• 19952-47-7

• 3048-45-1

Reference: [1]Chemistry - A European Journal,2018,vol. 24,p. 14622 - 14626
[2]Chemical and Pharmaceutical Bulletin,1997,vol. 45,p. 297 - 304
[3]Journal of Heterocyclic Chemistry,2000,vol. 37,p. 1655 - 1658
[4]Tetrahedron,2013,vol. 69,p. 4436 - 4444

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