Product Name

  • Name

    3-METHYL-1,1-DIPHENYLUREA

  • EINECS 236-039-7
  • CAS No. 13114-72-2
  • Article Data5
  • CAS DataBase
  • Density 1.151 g/cm3
  • Solubility Insoluble in water
  • Melting Point 172-174 °C(lit.)
  • Formula C14H14N2O
  • Boiling Point 412.9 °C at 760 mmHg
  • Molecular Weight 226.278
  • Flash Point 203.5 °C
  • Transport Information
  • Appearance Needles or grayish-white powder
  • Safety 36/37
  • Risk Codes
  • Molecular Structure Molecular Structure of 13114-72-2 (3-METHYL-1,1-DIPHENYLUREA)
  • Hazard Symbols
  • Synonyms Urea,3-methyl-1,1-diphenyl- (6CI,7CI,8CI);Acardit II;Acardite II;Akardit II;Akardite II;N-Methyl-N',N'-diphenylurea;N'-Methyl-N,N-diphenylurea;
  • PSA 32.34000
  • LogP 3.55500

Synthetic route

Ethyl N-methylcarbamate
105-40-8

Ethyl N-methylcarbamate

diphenylamine
122-39-4

diphenylamine

N-methyl-N',N'-diphenylurea
13114-72-2

N-methyl-N',N'-diphenylurea

Conditions
ConditionsYield
With trichlorophosphate at 80 - 90℃; 10-12 h;83%
diphenylcarbamic chloride
83-01-2

diphenylcarbamic chloride

methylamine
74-89-5

methylamine

N-methyl-N',N'-diphenylurea
13114-72-2

N-methyl-N',N'-diphenylurea

Conditions
ConditionsYield
With diethyl ether
In water at 76.2℃; for 1.08333h;
methyl isocyanate
624-83-9

methyl isocyanate

dibutyl phosphate
107-66-4

dibutyl phosphate

N-methyl-N',N'-diphenylurea
13114-72-2

N-methyl-N',N'-diphenylurea

Conditions
ConditionsYield
With diphenylamine In toluene
phosgene
75-44-5

phosgene

N-methyl-N',N'-diphenylurea
13114-72-2

N-methyl-N',N'-diphenylurea

C15H13ClN2O2

C15H13ClN2O2

Conditions
ConditionsYield
In tetrahydrofuran; toluene at 20 - 60℃; for 384h;
N-methyl-N',N'-diphenylurea
13114-72-2

N-methyl-N',N'-diphenylurea

N'-(2,6-bis(1-methylethyl)phenyl)-2-methyl-N,N-diphenyliminodicarbonic diamide

N'-(2,6-bis(1-methylethyl)phenyl)-2-methyl-N,N-diphenyliminodicarbonic diamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: toluene; tetrahydrofuran / 384 h / 20 - 60 °C
2: tetrahydrofuran / Ambient temperature
View Scheme
N-methyl-N',N'-diphenylurea
13114-72-2

N-methyl-N',N'-diphenylurea

methyl isocyanate
624-83-9

methyl isocyanate

Conditions
ConditionsYield
In dimethyl sulfoxide at 260℃; for 2h;
Heating;
at 260 - 280℃;
1,4-dioxane
123-91-1

1,4-dioxane

N-methyl-N',N'-diphenylurea
13114-72-2

N-methyl-N',N'-diphenylurea

methyl isocyanate
624-83-9

methyl isocyanate

Urea,N'-methyl-N,N-diphenyl- Specification

The Urea,N'-methyl-N,N-diphenyl-, with CAS registry number 13114-72-2, belongs to the following product categories: (1)Carbonyl Compounds; (2)Organic Building Blocks; (3)Ureas. It has the systematic name of 3-methyl-1,1-diphenylurea. This chemical is a kind of needles or grayish-white powder. This chemical irritates to eyes and respiratory system. And the chemical formula of this chemical is C14H14N2O.

Physical properties of Urea,N'-methyl-N,N-diphenyl-: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 51.86; (6)ACD/BCF (pH 7.4): 51.86; (7)ACD/KOC (pH 5.5): 587.59; (8)ACD/KOC (pH 7.4): 587.59; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 68.58 cm3; (15)Molar Volume: 196.4 cm3; (16)Polarizability: 27.19×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.151 g/cm3; (19)Flash Point: 203.5 °C; (20)Enthalpy of Vaporization: 66.56 kJ/mol; (21)Boiling Point: 412.9 °C at 760 mmHg; (22)Vapour Pressure: 5E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by diphenylamine and methylcarbamic acid ethyl ester. This reaction will need reagent phosphorus oxychloride. The reaction temperature is 80 - 90 ℃. The yield is about 83%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(c1ccccc1)c2ccccc2)NC
(2)InChI: InChI=1/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)
(3)InChIKey: IMFYAZJNDOZIFV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)
(5)Std. InChIKey: IMFYAZJNDOZIFV-UHFFFAOYSA-N

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