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C8H16Cl3N.ClH

Base Information Edit
  • Chemical Name:C8H16Cl3N.ClH
  • CAS No.:639-41-8
  • Molecular Formula:C17H19 N O4
  • Molecular Weight:301.342
  • Hs Code.:
  • NSC Number:88421
  • ChEMBL ID:CHEMBL1995397
  • Mol file:639-41-8.mol
C8H16Cl3N.ClH

Synonyms:crinamine

Suppliers and Price of C8H16Cl3N.ClH
Supply Marketing:Edit
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 16 raw suppliers
Chemical Property of C8H16Cl3N.ClH Edit
Chemical Property:
  • Vapor Pressure:1.53E-09mmHg at 25°C 
  • Boiling Point:467.5°C at 760 mmHg 
  • Flash Point:236.5°C 
  • PSA:51.16000 
  • Density:1.42g/cm3 
  • LogP:1.12460 
  • XLogP3:1.3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:1
  • Exact Mass:301.13140809
  • Heavy Atom Count:22
  • Complexity:497
Purity/Quality:

99% *data from raw suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O
  • Isomeric SMILES:CO[C@@H]1C[C@@H]2[C@]3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O
Technology Process of C8H16Cl3N.ClH

There total 21 articles about C8H16Cl3N.ClH 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:
Guidance literature:
Multi-step reaction with 7 steps
1: (S)-BINAPO / Pd2dba3*CHCl3 / tetrahydrofuran / 18 h / Ambient temperature
2: 83 percent / FeCl3*SiO2 / acetone / Ambient temperature
3: 59 percent / 4 Angstroem molecular sieves / 230 - 240 °C
4: 98 percent / pyridine
5: 86 percent / SeO2 / dioxane / Heating
6: 1.) Ms2O, Et3N / 2.) 0 deg C
7: 1.) Na*C10H8, 3.) K2CO3 / 1.) THF, -95 deg C, 2.) MeCN, reflux, 3.) MeOH
With pyridine; selenium(IV) oxide; 4 A molecular sieve; Na*C10H8; silica gel; iron(III) chloride; potassium carbonate; triethylamine; (S)-1,1'-binaphthalene-2,2'-diylbis(diphenylphosphine oxide); Methanesulfonic anhydride; tris(dibenzylideneacetone)dipalladium(0) chloroform complex; In tetrahydrofuran; 1,4-dioxane; acetone;
DOI:10.1021/jo9815249
Guidance literature:
Multi-step reaction with 7 steps
1: NaH, (S)-BINAPO / Pd2dba3*CHCl3 / tetrahydrofuran / 48 h / -20 °C / other solvents
2: 83 percent / FeCl3*SiO2 / acetone / Ambient temperature
3: 59 percent / 4 Angstroem molecular sieves / 230 - 240 °C
4: 98 percent / pyridine
5: 86 percent / SeO2 / dioxane / Heating
6: 1.) Ms2O, Et3N / 2.) 0 deg C
7: 1.) Na*C10H8, 3.) K2CO3 / 1.) THF, -95 deg C, 2.) MeCN, reflux, 3.) MeOH
With pyridine; selenium(IV) oxide; 4 A molecular sieve; Na*C10H8; silica gel; iron(III) chloride; sodium hydride; potassium carbonate; triethylamine; (S)-1,1'-binaphthalene-2,2'-diylbis(diphenylphosphine oxide); Methanesulfonic anhydride; tris(dibenzylideneacetone)dipalladium(0) chloroform complex; In tetrahydrofuran; 1,4-dioxane; acetone;
DOI:10.1021/jo9815249
Guidance literature:
Multi-step reaction with 5 steps
1: 59 percent / 4 Angstroem molecular sieves / 230 - 240 °C
2: 98 percent / pyridine
3: 86 percent / SeO2 / dioxane / Heating
4: 1.) Ms2O, Et3N / 2.) 0 deg C
5: 1.) Na*C10H8, 3.) K2CO3 / 1.) THF, -95 deg C, 2.) MeCN, reflux, 3.) MeOH
With pyridine; selenium(IV) oxide; 4 A molecular sieve; Na*C10H8; potassium carbonate; triethylamine; Methanesulfonic anhydride; In 1,4-dioxane;
DOI:10.1021/jo9815249
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