2-Amino-4-chlorothiazole-5-carbaldehyde

Base Information

• Chemical Name: 2-Amino-4-chlorothiazole-5-carbaldehyde
• CAS No.: 76874-79-8
• Molecular Formula: C4H3ClN2OS
• Molecular Weight: 162.6
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID00452484
• Nikkaji Number: J632.516E
• Wikidata: Q82273151
• Mol file: 76874-79-8.mol

Synonyms:2-Amino-4-chlorothiazole-5-carbaldehyde;76874-79-8;2-Amino-4-chloro-5-formylthiazole;2-amino-4-chloro-1,3-thiazole-5-carbaldehyde;2-AMINO-4-CHLORO-5-THIAZOLECARBALDEHYDE;MFCD00204993;2-Amino-4-chloro-5-formyl-1,3-thiazole;C4H3ClN2OS;5-Thiazolecarboxaldehyde, 2-amino-4-chloro-;SCHEMBL909604;DTXSID00452484;KJRBYUWRYRRPKN-UHFFFAOYSA-N;AMY31385;AKOS002391907;CS-W021559;DS-9459;2-amino-4-chlorothiazol-5-carbaldehyde;2-amino-4-chloro-thiazole-5-carbaldehyde;SY064489;2-amino-4-chloro-5-thiazolecarboxaldehyde;2-Amino-4-chlorothiazole-5-carboxaldehyde;FT-0646532;EN300-113957;A838878;J-507840;4-Chloro-2-imino-2,3-dihydrothiazole-5-carbaldehyde;Z1201619759

Chemical Property of 2-Amino-4-chlorothiazole-5-carbaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.717
• Boiling Point: 341.257 °C at 760 mmHg
• PKA: 0.39±0.10(Predicted)
• Flash Point: 160.187 °C
• PSA: 84.22000
• Density: 1.659 g/cm³
• LogP: 1.77240
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 161.9654616
• Heavy Atom Count: 9
• Complexity: 123

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4-chlorothiazole-5-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)C1=C(N=C(S1)N)Cl

Technology Process of 2-Amino-4-chlorothiazole-5-carbaldehyde

There total 4 articles about 2-Amino-4-chlorothiazole-5-carbaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 72.0%

thiourea (17356-08-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) + chloroacetic acid (79-11-8) → 2-amino-4-chloro-5-formyl-1,3-thiazole (76874-79-8)

Guidance literature:

thiourea; chloroacetic acid; In N,N-dimethyl-formamide; at 40 ℃; for 2h;

N,N-dimethyl-formamide; With trichlorophosphate; at 60 - 90 ℃; for 5.5h;

DOI:10.1016/j.bmc.2004.08.050

Reference yield:

phosphorus (III) oxychloride (21295-50-1) + 2-Amino-4-thiazolinone hydrochloride (2192-06-5) → 2-amino-4-chloro-5-formyl-1,3-thiazole (76874-79-8)

Guidance literature:

With sodium acetate; In water; N,N-dimethyl-formamide;

Reference yield:

2-aminothiazol-4-ol hydrochloride + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-amino-4-chloro-5-formyl-1,3-thiazole (76874-79-8)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at -5 - 5 ℃; Large scale;

2-aminothiazol-4-ol hydrochloride; at 20 - 55 ℃; Large scale;

DOI:10.1021/acs.oprd.1c00042

upstream raw materials:

thiourea

N,N-dimethyl-formamide

chloroacetic acid

phosphorus (III) oxychloride

Downstream raw materials:

4-chloro-2-<4-(diethylamino)phenylazo>thiazole-5-carbaldehyde

4-chloro-2-<4-phenylazo>thiazole-5-carbaldehyde

2-<4-phenylazo>-4-chlorothiazole-5-carbaldehyde

(4-chloro-5-formylthiazol-2-yl)carbamic acid tert-butyl ester