alpha-Sanshool

Base Information

Chemical Name:alpha-Sanshool
CAS No.:504-97-2
Molecular Formula:C16H25NO
Molecular Weight:247.381
Hs Code.:2924199090
UNII:YB7LBG97PX
DSSTox Substance ID:DTXSID601319143
Nikkaji Number:J674.640C
Wikidata:Q2839529
Mol file:504-97-2.mol

Synonyms:alpha-sanshool;beta-sanshool;gamma-sanshool;sanshool

Suppliers and Price of alpha-Sanshool

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 31 raw suppliers

Chemical Property of alpha-Sanshool

Chemical Property:

Vapor Pressure:2.22E-07mmHg at 25°C
Melting Point:63-65 °C
Refractive Index:1.496
Boiling Point:423.5 °C at 760 mmHg
PKA:15.06±0.46(Predicted)
Flash Point:259.3 °C
PSA：32.59000
Density:0.904 g/cm³
LogP:4.62380
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:8
Exact Mass:247.193614421
Heavy Atom Count:18
Complexity:322

Purity/Quality:: 1%-101.0% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CC=CC=CCCC=CC(=O)NCC(C)C
Isomeric SMILES:C/C=C/C=C/C=C\CC/C=C/C(=O)NCC(C)C

Technology Process of alpha-Sanshool

There total 9 articles about alpha-Sanshool 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: 53.0%

: (2E,8E,10E)-N-isobutyldodeca-2,8,10-trien-6-yneamide

: 504-97-2
Alpha-Sanshool

Guidance literature:: With copper diacetate; silver nitrate; zinc; In methanol; water; for 24h;

Reference yield:

: 142-83-6,4488-48-6
trans,trans-2,4-Hexadienal

: 98095-55-7
(E)-6-(Triphenyl-λ⁵-phosphanylidene)-hex-2-enoic acid isobutyl-amide

: 504-97-2
Alpha-Sanshool

: 10076-00-3
Beta-Sanshool

Guidance literature:: With n-butyllithium; In tetrahydrofuran; dimethyl sulfoxide; at 0 ℃; Yield given. Yields of byproduct given;
DOI:10.1016/S0040-4039(00)94859-7

Reference yield:

: 140677-99-2,141943-16-0,140677-83-4
hept-2-en-6-ynoic acid methyl ester

: 504-97-2
Alpha-Sanshool

Guidance literature:: Multi-step reaction with 5 steps

1: sodium hydroxide / tetrahydrofuran / 1 h / 50 °C

2: N-ethyl-N,N-diisopropylamine; diethyl cyanophosphonate / tetrahydrofuran / 1.5 h / 0 - 20 °C

3: N-Bromosuccinimide; silver nitrate / acetone / 2 h / 20 °C

4: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydroxide / tetrahydrofuran / 2 h / 50 °C

5: silver nitrate; zinc; copper diacetate / water; methanol / 24 h

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; diethyl cyanophosphonate; copper diacetate; silver nitrate; N-ethyl-N,N-diisopropylamine; sodium hydroxide; zinc; In tetrahydrofuran; methanol; water; acetone;