1-Naphthylurea

Base Information

• Chemical Name: 1-Naphthylurea
• CAS No.: 6950-84-1
• Molecular Formula: C11H10 N2 O
• Molecular Weight: 186.213
• Hs Code.: 2924299090
• European Community (EC) Number: 230-121-6
• NSC Number: 65627
• UN Number: 1652
• UNII: PJB18S9URE
• DSSTox Substance ID: DTXSID1075303
• Nikkaji Number: J265.985I
• Wikidata: Q82003293
• ChEMBL ID: CHEMBL1550615
• Mol file: 6950-84-1.mol

Synonyms:1-(Naphthalen-1-yl)urea;6950-84-1;1-Naphthylurea;1-(1-naphthyl)urea;(naphthalen-1-yl)urea;naphthalen-1-ylurea;Urea, 1-naphthalenyl-;PJB18S9URE;EINECS 230-121-6;NSC 65627;NSC-65627;AI3-61345;Urea, N-1-naphthalenyl-;Naphthylurea;naphthyl urea;NSC65627;N-(1-naphthyl)urea;1-naphthalen-1-ylurea;Urea, N-1-naftalenil-;UNII-PJB18S9URE;3-naphthalene-1-yl-urea;3-(naphthalen-1-yl)urea;.ALPHA.-NAPHTHYLUREA;N-1-NAPHTHALENYLUREA;NCIOpen2_000271;SCHEMBL79802;MLS000704028;N-.ALPHA.-NAPHTHYLUREA;UREA, (1-NAPHTHYL)-;CHEMBL1550615;DTXSID1075303;.ALPHA.-NAPHTHYLCARBAMIDE;HMS2515B13;MFCD00021444;NA1652;STL411829;UN1652;AKOS000156491;CCG-354129;NCGC00247249-01;SMR000230153;FT-0690584;EN300-115215;F87567;A866817;Z56760711

Chemical Property of 1-Naphthylurea

Chemical Property:

• Vapor Pressure: 3.47E-05mmHg at 25°C
• Melting Point: 219.5°C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 353.9°C at 760 mmHg
• PKA: 14.45±0.50(Predicted)
• Flash Point: 167.8°C
• PSA: 55.12000
• Density: 1.294g/cm³
• LogP: 3.10370
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 217
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

1-(Naphthalen-1-yl)urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)N

Technology Process of 1-Naphthylurea

There total 11 articles about 1-Naphthylurea 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: 95.0%

naphthalen-1-yl-thiourea (86-88-4) → 1-naphthalenyl-urea (6950-84-1)

Guidance literature:

With trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane; water; potassium hydroxide; In acetonitrile; at 20 ℃; for 0.0833333h;

DOI:10.1080/17415993.2015.1082181

Reference yield: 94.0%

1-naphthylcyanamide (41279-57-6) → 1-naphthalenyl-urea (6950-84-1)

Guidance literature:

With silver; water; for 1h; Reflux;

DOI:10.1016/j.saa.2014.04.186

Reference yield: 86.0%

N-(naphthalen-2-yl)cyanamide (116120-22-0) → 1-naphthalenyl-urea (6950-84-1)

Guidance literature:

With Acetaldehyde oxime; cerium(IV) oxide; In ethanol; for 2h; Reflux; Inert atmosphere;

DOI:10.3184/174751913X13787959859461

upstream raw materials:

potassium cyanate

1-amino-naphthalene

urea

sodium isocyanate

Downstream raw materials:

1-benzyl-3-(naphthalen-1-yl)urea

3-Naphthalen-1-yl-10-p-tolyl-10H-pyrimido[4,5-b]quinoline-2,4-dione

3-Naphthalen-1-yl-6-p-tolylamino-1H-pyrimidine-2,4-dione

2-α-Naphthylamino-oxazol

Refernces

• 1、 Azarifar, Davood,Golbaghi, Maryam. "Selective and facile oxidative desulfurization of thioureas and thiobarbituric acids with singlet molecular oxygen generated from trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane". . p. 1 - 13. Retrieved 2016/02/12.
• 2、 Nasrollahzadeh, Mahmoud,Enayati, Mojtaba,Khalaj, Mehdi. "Synthesis of N-arylureas in water and their N-arylation with aryl halides using copper nanoparticles loaded on natural Natrolite zeolite under ligand-free conditions". . p. 26264 - 26270. Retrieved 2014/07/08.