Carbamic acid, methyl-, (6-trimethylammonio)thymyl ester, iodide

Base Information

• Chemical Name: Carbamic acid, methyl-, (6-trimethylammonio)thymyl ester, iodide
• CAS No.: 20347-56-2
• Molecular Formula: C₁₅H₂₅N₂O₂*I
• Molecular Weight: 392.28
• Mol file: 20347-56-2.mol

Synonyms:20347-56-2;SB-27;Carbamic acid, methyl-, (6-trimethylammonio)thymyl ester, iodide;Ammonium, (5-methylcarbamoyloxycarvacryl)trimethyl-, iodide;Ammonium, (5-hydroxycarvacryl)trimethyl-, iodide, methylcarbamate;Carbamic acid, N-methyl-, 4-dimethylaminothymyl ester, methiodide;TRIMETHYL-[2-METHYL-4-(METHYLCARBAMOYLOXY)-5-PROPAN-2-YLPHENYL]AZANIUMIODIDE

Chemical Property of Carbamic acid, methyl-, (6-trimethylammonio)thymyl ester, iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 44.65000
• Density: g/cm³
• LogP: 4.10840
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 392.09608
• Heavy Atom Count: 20
• Complexity: 310

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1[N+](C)(C)C)C(C)C)OC(=O)NC.[I-]

Technology Process of Carbamic acid, methyl-, (6-trimethylammonio)thymyl ester, iodide

There total 2 articles about Carbamic acid, methyl-, (6-trimethylammonio)thymyl ester, iodide 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:

4-Dimethylamino-2-isopropyl-5-methyl-phenol (854631-75-7) → 5-isopropyl-2,N,N,N-tetramethyl-4-methylcarbamoyloxy-anilinium; iodide (20347-56-2)

Guidance literature:

Multi-step reaction with 2 steps

2: acetone

With acetone;

DOI:10.1021/ja01846a078

Reference yield:

methyl-carbamic acid-(4-dimethylamino-2-isopropyl-5-methyl-phenyl ester) (18659-45-5) + methyl iodide (74-88-4) → 5-isopropyl-2,N,N,N-tetramethyl-4-methylcarbamoyloxy-anilinium; iodide (20347-56-2)

Guidance literature:

With acetone;

DOI:10.1021/ja01846a078

upstream raw materials:

methyl-carbamic acid-(4-dimethylamino-2-isopropyl-5-methyl-phenyl ester)

methyl iodide

4-Dimethylamino-2-isopropyl-5-methyl-phenol