4-BENZYLOXYPHENYL ISOCYANATE

Base Information

• Chemical Name: 4-BENZYLOXYPHENYL ISOCYANATE
• CAS No.: 50528-73-9
• Molecular Formula: C14H11NO2
• Molecular Weight: 225.247
• Hs Code.: 29291000
• Mol file: 50528-73-9.mol

Synonyms:1-Benzyloxy-4-isocyanato-benzene;1-Isocyanato-4-[(phenylmethyl)oxy]benzene;1-Isocyanato-4-benzyloxybenzene;1-[(4-Isocyanatophenoxy)methyl]benzene;4-(Benzyloxy)phenyl isocyanate;NSC82829;p-(Benzyloxy)phenyl isocyanate;1-isocyanato-4-phenylmethoxybenzene;

Chemical Property of 4-BENZYLOXYPHENYL ISOCYANATE

Chemical Property:

• Appearance/Colour: light yellow to slightly brown crystalline mass
• Vapor Pressure: 4.37E-05mmHg at 25°C
• Melting Point: 60-62 °C(lit.)
• Refractive Index: 1.555
• Boiling Point: 350.5 °C at 760 mmHg
• Flash Point: 158.5 °C
• PSA: 38.66000
• Density: 1.07 g/cm³
• LogP: 3.23290
• Storage Temp.: 0-6°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Benzyloxy)phenyl isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BENZYLOXYPHENYL ISOCYANATE

There total 7 articles about 4-BENZYLOXYPHENYL ISOCYANATE 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: 96.0%

bis(trichloromethyl) carbonate (32315-10-9) + 4-benzyloxyaniline hydrochloride (51388-20-6) → 4-benzyloxy-phenyl isocyanate (50528-73-9)

Guidance literature:

With triethylamine; In ethyl acetate; at 77 ℃; for 2h;

DOI:10.1039/b506404j

Reference yield: 92.0%

bis(trichloromethyl) carbonate (32315-10-9) + p-benzyloxyaniline (6373-46-2) → 4-benzyloxy-phenyl isocyanate (50528-73-9)

Guidance literature:

In tetrahydrofuran; Reflux;

Reference yield: 26.6%

phosgene (75-44-5) + 4-benzyloxyaniline hydrochloride (51388-20-6) → 4-benzyloxy-phenyl isocyanate (50528-73-9)

Guidance literature:

In toluene; for 2h; Heating;

upstream raw materials:

phosgene

4-benzyloxyaniline hydrochloride

bis(trichloromethyl) carbonate

p-benzyloxyaniline

Downstream raw materials:

(4-benzyloxy-phenyl)-carbamic acid-(2-diethylamino-ethyl ester)

(-)-(3aS)-1-benzyl-3a,8-dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl-N-4'-benzyloxyphenylcarbamate

(-)-(3aS)-eseroline-4'-benzyloxyphenylcarbamate

1-(4-benzyloxy-phenyl)-3-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-urea

Refernces

• 1、 -. "Method for preparing a SUO draw non-Buddhist nun (by machine translation)". Paragraph 0015; 0016. . Retrieved 2016/12/22.
• 2、 Knaggs, Sarah,Malkin, Hugh,Osborn, Helen M.I.,Williams, Nana Aba O.,Yaqoob, Parveen. "New prodrugs derived from 6-aminodopamine and 4-aminophenol as candidates for melanocyte-directed enzyme prodrug therapy (MDEPT)". . p. 4002 - 4010. Retrieved 2007/10/03.