(S)-1-(1-phenylethyl)urea

Base Information

• Chemical Name: (S)-1-(1-phenylethyl)urea
• CAS No.: 25144-64-3
• Molecular Formula: C9H12N2O
• Molecular Weight: 164.20400
• DSSTox Substance ID: DTXSID20515186
• Nikkaji Number: J84.429B
• Wikidata: Q82375946
• Mol file: 25144-64-3.mol

Synonyms:(S)-1-(1-phenylethyl)urea;25144-64-3;[(1S)-1-phenylethyl]urea;Urea, N-[(1S)-1-phenylethyl]-;n-[(1S)-1-phenylethyl]urea;SCHEMBL1186297;DTXSID20515186;CS-M0652;AKOS006282065;CS-13652;A1-10467

Chemical Property of (S)-1-(1-phenylethyl)urea

Chemical Property:

• PSA: 56.11000
• LogP: 2.32060
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

≥95% ^*data from raw suppliers

(S)-1-(1-phenylethyl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NC(=O)N
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)N

Technology Process of (S)-1-(1-phenylethyl)urea

There total 5 articles about (S)-1-(1-phenylethyl)urea 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: 94.0%

(S)-1-Phenyl-ethyl-cyanamide (122833-48-1) → (S)-(-)-N-α-methylbenzylurea (25144-64-3)

Guidance literature:

With [OsCl₂(η⁶-p-cymene)(PMe₂OH)]; water; at 40 ℃; for 0.5h; Reagent/catalyst; Inert atmosphere; Sealed tube;

DOI:10.1039/d0cy00523a

Reference yield: 91.0%

(S)-1-phenyl-ethylamine (2627-86-3) + urea (57-13-6) → (S)-(-)-N-α-methylbenzylurea (25144-64-3)

Guidance literature:

With graphene oxide; In neat (no solvent); at 80 ℃; for 4h; Sealed tube;

DOI:10.1002/adsc.201801673

Reference yield:

nitrourea (556-89-8) + (S)-1-phenyl-ethylamine (2627-86-3) → (S)-(-)-N-α-methylbenzylurea (25144-64-3)

Guidance literature:

DOI:10.1016/S0040-4039(01)81160-6

upstream raw materials:

nitrourea

(S)-1-phenyl-ethylamine

potassium cyanate

urea

Downstream raw materials:

3-(S)-(-)-α-methylbenzylbarbituric acid

10-butyl-3-<(S)-α-methylbenzyl>-5-deazaflavin

6-chloro-5-formyl-(S)-3α-methylbenzyluracil

(-)-10-butyl-7-methyl-3-(S)-α-methylbenzyl-5-deazaflavin