4-(Rhamnosyloxy)phenylacetonitrile

Base Information

Chemical Name:4-(Rhamnosyloxy)phenylacetonitrile
CAS No.:122001-32-5
Molecular Formula:C₁₄H₁₇NO₅
Molecular Weight:279.293
Hs Code.:
DSSTox Substance ID:DTXSID60153465
Nikkaji Number:J615.021G
Wikidata:Q83020338
Metabolomics Workbench ID:134444
ChEMBL ID:CHEMBL446981
Mol file:122001-32-5.mol

Synonyms:4-(rhamnosyloxy)phenylacetonitrile;4-RMOPAN

Suppliers and Price of 4-(Rhamnosyloxy)phenylacetonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 8 raw suppliers

Chemical Property of 4-(Rhamnosyloxy)phenylacetonitrile

Chemical Property:

Vapor Pressure:3.09E-11mmHg at 25°C
Boiling Point:510.3°Cat760mmHg
Flash Point:262.4°C
PSA：102.94000
Density:1.368g/cm³
LogP:-0.04102
XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:279.11067264
Heavy Atom Count:20
Complexity:360

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(C(C(C(O1)OC2=CC=C(C=C2)CC#N)O)O)O
Isomeric SMILES:C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CC#N)O)O)O

Technology Process of 4-(Rhamnosyloxy)phenylacetonitrile

There total 3 articles about 4-(Rhamnosyloxy)phenylacetonitrile 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:

: 4-(2',3',4'-tri-O-acetyl-α-L-rhamnopyranosyloxy)-phenylacetonitrile

: 122001-32-5
4-(α-L-rhamnopyranosyloxy)phenylacetonitrile

Guidance literature:: With sodium methylate; In methanol; at 25 ℃; for 0.5h; Inert atmosphere;
DOI:10.1016/j.phymed.2019.153010

Reference yield:

: 30021-94-4
1,2,3,4-O-tetraacetyl-α-L-rhamnopyranose

: 122001-32-5
4-(α-L-rhamnopyranosyloxy)phenylacetonitrile

Guidance literature:: Multi-step reaction with 4 steps

1.1: acetic acid hydrazide / N,N-dimethyl-formamide / 2 h / 50 °C / Inert atmosphere

2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 2 h / 25 °C

3.1: dichloromethane / 0.5 h / 0 °C / Molecular sieve; Inert atmosphere

3.2: 0 - 25 °C / Molecular sieve; Inert atmosphere

4.1: sodium methylate / methanol / 0.5 h / 25 °C / Inert atmosphere

With sodium methylate; acetic acid hydrazide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.phymed.2019.153010

Reference yield:

: 28915-80-2
2,3,4-tri-O-acetyl-α-L-rhamnopyranose

: 122001-32-5
4-(α-L-rhamnopyranosyloxy)phenylacetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 2 h / 25 °C

2.1: dichloromethane / 0.5 h / 0 °C / Molecular sieve; Inert atmosphere

2.2: 0 - 25 °C / Molecular sieve; Inert atmosphere

3.1: sodium methylate / methanol / 0.5 h / 25 °C / Inert atmosphere

With sodium methylate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol; dichloromethane;
DOI:10.1016/j.phymed.2019.153010