4-Methylsulfanyl-2-ureido-butyric acid

Base Information

• Chemical Name: 4-Methylsulfanyl-2-ureido-butyric acid
• CAS No.: 30411-84-8
• Molecular Formula: C₆H₁₂N₂O₃S
• Molecular Weight: 192.239
• Hs Code.: 2930909090
• European Community (EC) Number: 250-183-8
• Mol file: 30411-84-8.mol

Synonyms:N-carbamoyl-methionine;N-carbamoylmethionine;N-carbamylmethionine

Chemical Property of 4-Methylsulfanyl-2-ureido-butyric acid

Chemical Property:

• Vapor Pressure: 1.44E-07mmHg at 25°C
• Boiling Point: 401.5°Cat760mmHg
• PKA: 3.71±0.10(Predicted)
• Flash Point: 196.6°C
• PSA: 117.72000
• Density: 1.315g/cm³
• LogP: 0.95220
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 192.05686342
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

4-Methylsulfanyl-2-ureido-butyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCC(C(=O)O)NC(=O)N

Technology Process of 4-Methylsulfanyl-2-ureido-butyric acid

There total 3 articles about 4-Methylsulfanyl-2-ureido-butyric acid 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: 81.0%

potassium cyanate (590-28-3) + DL-methionine (59-51-8,26062-47-5,58576-49-1) → (RS)-N-carbamoylmethionine (30411-84-8,171262-76-3)

Guidance literature:

In water; for 0.5h; Heating;

DOI:10.1039/b005856o

Reference yield:

DL-methionine (59-51-8,26062-47-5,58576-49-1) → (RS)-N-carbamoylmethionine (30411-84-8,171262-76-3)

Guidance literature:

With water;

DOI:10.1039/jr9520003403

Reference yield:

→ (RS)-N-carbamoylmethionine (30411-84-8,171262-76-3)

Guidance literature:

Aus α-Isocyanatomethioninethylester u. NH3;

DOI:10.1021/jf60197a025

upstream raw materials:

DL-methionine

potassium cyanate

Downstream raw materials:

L-methionine

DD/LL/LD/DL-methionylmethionine

3,6-bis[2-(methylthio)ethyl]-2,5-piperazinedione

(±)-(S)-2-[(1S,5R)-(3,7-dioxo-2,4,6,8-tetraazabicyclo[3.3.0]oct-2-yl)]-4-(methylthio)butanoic acid

Refernces