Benzylurea

Base Information

• Chemical Name: Benzylurea
• CAS No.: 538-32-9
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 2924299090
• European Community (EC) Number: 208-689-1
• NSC Number: 109103
• UNII: 0K14I09J76
• DSSTox Substance ID: DTXSID10202078
• Nikkaji Number: J83.757A
• Wikidata: Q27236884
• ChEMBL ID: CHEMBL1878784
• Mol file: 538-32-9.mol

Synonyms:Benzylurea;1-Benzylurea;538-32-9;N-Benzylurea;Benzylcarbamide;Urea, (phenylmethyl)-;Phenylmethylurea;UREA, BENZYL-;benzyl-urea;MFCD00007951;N-(Phenylmethyl)urea;EINECS 208-689-1;NSC 109103;BRN 2208083;CC-PMLSC-DMA-P105;AI3-61350;UNII-0K14I09J76;Urea, (phenylmethyl)- (9CI);0K14I09J76;NSC-109103;EC 208-689-1;Urea, N-(phenylmethyl)-;benzyl urea;3-benzylurea;(phenylmethyl)urea;NSC109103;1-(phenylmethyl)urea;(benzylamino)carboxamide;BENZYLUREA [MI];WLN: ZVMIR;SCHEMBL81511;cid_10853;MLS000889052;SCHEMBL9387528;CHEMBL1878784;BDBM35447;RJNJWHFSKNJCTB-UHFFFAOYSA-;DTXSID10202078;HMS2211M13;HMS3358C20;BBL013146;STK398278;AKOS000113529;AC-6165;CS-W010969;HY-W010253;SB75782;SDCCGMLS-0091865.P001;NCGC00142238-01;SMR000209020;SY049437;LS-158930;B0449;FT-0632335;EN300-19992;7M-744;J-650375;Q27236884;F0001-1396;Z104476310

Chemical Property of Benzylurea

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 0.00326mmHg at 25°C
• Melting Point: 149-151 °C(lit.)
• Refractive Index: 1.6180 (estimate)
• Boiling Point: 282.9°Cat760mmHg
• PKA: 14.18±0.50(Predicted)
• Flash Point: 124.9°C
• PSA: 55.12000
• Density: 1.138g/cm³
• LogP: 1.94610
• Storage Temp.: Store below +30°C.
• Solubility.: 17g/l
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Benzylurea ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)N
• Uses: Benzylurea is used as an organic chemical synthesis intermediate.

Technology Process of Benzylurea

There total 71 articles about Benzylurea 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: 99.0%

3-nitro-benzoyl glycine (617-10-7) + ethyl (3-nitrobenzoylglycyl)-3-amido propionate + benzyl isothiocyanate (3173-56-6) → N-[2-[[[3-[[[(phenylmethyl)amino]carbonyl]amino]phenyl]carbonyl]amino]acetyl]-β-alanine (188805-32-5) + benzylurea (538-32-9)

Guidance literature:

With aniline; palladium; In diethyl ether; ethanol; acetonitrile;

Reference yield: 95.0%

ethanol (64-17-5) + S-Methyl N-benzyl(thiocarbamate) (90609-83-9) → benzylurea (538-32-9)

Guidance literature:

With ammonia; In 1,4-dioxane;

Reference yield: 92.0%

potassium cyanate (590-28-3) + benzylamine (100-46-9) → benzylurea (538-32-9)

Guidance literature:

With ammonium chloride; In water; at 120 ℃; for 0.25h; Temperature; Microwave irradiation; Sealed tube;

DOI:10.1002/ejoc.202101059

upstream raw materials:

N-Benzylbiuret

benzyl-aminooxalyl azide

benzaldehyde

urea

Downstream raw materials:

1,3-dibenzylurea

N-benzyl-N'-chloro-urea

benzyl isothiocyanate

N-nitroso-N-benzylurea

Refernces

• 1、 Manidhar,K. Uma Maheswara Rao,C. Suresh Reddy,Ch. Syamasunder,Adeppa,Misra, Krishna. "An improved method for the preparation of alkyl/arylurea derivatives using chlorocarbonylsulfenyl chloride as carbonylating agent". . p. 2479 - 2489. Retrieved 2012.
• 2、 Jain, Isha,Malik, Payal. "Indium(III)-Catalyzed Synthesis of Primary Carbamates and N-Substituted Ureas". supporting information. p. 93 - 97. Retrieved 2021/11/26.
• 3、 Bagherzadeh, Nastaran,Sardarian, Ali Reza,Inaloo, Iman Dindarloo. "Green and efficient synthesis of thioureas, ureas, primary: O -thiocarbamates, and carbamates in deep eutectic solvent/catalyst systems using thiourea and urea". supporting information. p. 11852 - 11858. Retrieved 2021/07/12.