Propanenitrile, 3-(phenylmethoxy)-

Base Information

• Chemical Name: Propanenitrile, 3-(phenylmethoxy)-
• CAS No.: 6328-48-9
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Hs Code.: 2926909090
• European Community (EC) Number: 228-698-4
• NSC Number: 43693
• UNII: 7ZY86LAO89
• DSSTox Substance ID: DTXSID7064237
• Nikkaji Number: J148.284J
• Wikidata: Q72442538
• Mol file: 6328-48-9.mol

Synonyms:3-(benzyloxy)propanenitrile;6328-48-9;Propanenitrile, 3-(phenylmethoxy)-;3-Benzyloxypropionitrile;3-(Benzyloxy)propionitrile;3-phenylmethoxypropanenitrile;3-(Benzyloxy)propiononitrile;3-(benzyloxy)propanitrile;7ZY86LAO89;EINECS 228-698-4;NSC 43693;NSC-43693;3-(phenylmethoxy)propanenitrile;NSC43693;2-Cyanoethylbenzyl ether;UNII-7ZY86LAO89;(BENZYLOXY)PROPIONITRILE;SCHEMBL5447262;C5H4N4O3.2H2O;DTXSID7064237;MFCD00035701;STL268889;AKOS000167059;C5-H4-N4-O3.2H2-O;PROPIONITRILE, 3-(BENZYLOXY)-;3-(Benzyloxy)propanenitrile, AldrichCPR;AS-17744;CS-0156145;FT-0762535;EN300-41576;D84177;A834312;W-104919;Z317037710;1H-Purine-2,6-dione, 3,7-dihydro-1-hydroxy-, dihydrate

Chemical Property of Propanenitrile, 3-(phenylmethoxy)-

Chemical Property:

• Vapor Pressure: 0.00133mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 297.7 °C at 760 mmHg
• Flash Point: 125.4 °C
• PSA: 33.02000
• Density: 1.039 g/cm³
• LogP: 2.11688
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

3-(Benzyloxy)propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COCCC#N

Technology Process of Propanenitrile, 3-(phenylmethoxy)-

There total 8 articles about Propanenitrile, 3-(phenylmethoxy)- 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: 100.0%

acrylonitrile (107-13-1,25014-41-9) + benzyl alcohol (100-51-6,185532-71-2) → 3-benzyloxypropionitrile (6328-48-9)

Guidance literature:

With [μN,κP,κC,κN-{2-(i-Pr2PO),6-(CH2NBn)-(C6H3)}Ni]2; In benzene; at 50 ℃; for 1h;

DOI:10.1021/ic100914x

Reference yield: 89.0%

benzyl bromide (100-39-0) + 3-Hydroxypropionitrile (109-78-4) → 3-benzyloxypropionitrile (6328-48-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; at 150 ℃; for 1h; Inert atmosphere; Neat (no solvent);

DOI:10.1016/j.tet.2011.10.016

Reference yield: 75.0%

benzyl 2-hex-1-yn-1-ylbenzoate + 3-Hydroxypropionitrile (109-78-4) → di(2-phenylethyl) ether (2396-53-4) + 3-benzyloxypropionitrile (6328-48-9)

Guidance literature:

(triphenylphosphine)gold(I) chloride; silver trifluoromethanesulfonate; In chlorobenzene; at 20 ℃; for 16h;

DOI:10.1021/ol701861d

upstream raw materials:

acrylonitrile

benzyl alcohol

3-[(1-phenylprop-2-yn-1-yl)oxy]propanenitrile

acetylene

Downstream raw materials:

3-benzyloxypropylamine

3-Benzyloxypropanal

Bis-(3-benzyloxypropyl)-amin

methyl β-benzyloxypropionate

Refernces

• 1、 -. "QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE". Page/Page column 497. . Retrieved 2020/05/13.
• 2、 Kaasik, Mikk,Noole, Artur,Reitel, K?rt,J?rving, Ivar,Kanger, T?nis. "Organocatalytic conjugate addition of cyclopropylacetaldehyde derivatives to nitro olefins: En route to β- and γ-amino acids". . p. 1745 - 1753. Retrieved 2015/05/27.