5-Thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl ester

• CAS: 161798-03-4
• Catalog Number: ACM161798034
• Category: Steroidal Compounds
• Molecular Weight: 347.43
• Molecular Formula: C₁₈H₂₁NO₄S
• Synonyms: ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE;2-(3-Formyl-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester
• IUPAC Name: ethyl2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)C=O)C
• InChI Key: AIQMFFCWDAIGNV-UHFFFAOYSA-N
• Boiling Point: 495.9ºCat 760 mmHg
• Density: 1.183
• Exact Mass: 347.11900

Custom Q&A

What is the molecular formula of 5-Thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl ester?

The molecular formula is C18H21NO4S.

What are the synonyms for 5-Thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl ester?

The synonyms are:
161798-03-4 Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
5-Thiazolecarboxylic acid, 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester
Ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
Ethyl2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate

What is the molecular weight of 5-Thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl ester?

The molecular weight is 347.4 g/mol.

What is the IUPAC name of 5-Thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl ester?

The IUPAC name is ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate.

What is the InChI of 5-Thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl ester?

The InChI is InChI=1S/C18H21NO4S/c1-5-22-18(21)16-12(4)19-17(24-16)13-6-7-15(14(8-13)9-20)23-10-11(2)3/h6-9,11H,5,10H2,1-4H3.

What is the InChIKey of 5-Thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl ester?

The InChIKey is AIQMFFCWDAIGNV-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl ester?

The canonical SMILES is CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)C=O)C.

What is the CAS number of 5-Thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl ester?

The CAS number is 161798-03-4.

What is the European Community (EC) number of 5-Thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl ester?

The European Community (EC) number is 700-743-7.

Synthetic Use

Upstream Synthesis Route 1

• 78-77-3
• 161798-01-2

• 161798-03-4

Reference: [1] Patent: WO2011/31409, 2011, A1, . Location in patent: Page/Page column 15

Upstream Synthesis Route 2

• 609-15-4

• 161798-03-4

Reference: [1] Patent: CN103880775, 2016, B, . Location in patent: Paragraph 0071; 0079; 0086; 0093; 0100

Upstream Synthesis Route 3

• 767-00-0

• 161798-03-4

Reference: [1] Patent: CN103880775, 2016, B,

Upstream Synthesis Route 4

• 78-77-3
• 161798-01-2

• 161798-03-4

Reference: [1]Patent: CN109912531,2019,A .Location in patent: Paragraph 0006; 0028-0037

Downstream Synthesis Route 1

• 161798-03-4

• 160844-75-7

Reference: [1]Tetrahedron Letters,2019,vol. 60,p. 1434 - 1436

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