Juncusol

Base Information

Chemical Name:Juncusol
CAS No.:62023-90-9
Molecular Formula:C18H18O2
Molecular Weight:266.3343
Hs Code.:2906299090
NSC Number:220968
UNII:6T481HU7OI
DSSTox Substance ID:DTXSID70211080
Nikkaji Number:J18.285K
Wikipedia:Juncusol
Wikidata:Q18386250
Metabolomics Workbench ID:133299
ChEMBL ID:CHEMBL38650
Mol file:62023-90-9.mol

Synonyms:juncunol;juncusol

Suppliers and Price of Juncusol

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

AvaChem
Juncusol
5mg
$ 290.00

AvaChem
Juncusol
1mg
$ 119.00

AvaChem
Juncusol
20mg
$ 690.00

AvaChem
Juncusol
10mg
$ 490.00

Arctom
Juncusol ≥98%
5mg
$ 318.00

Total 19 raw suppliers

Chemical Property of Juncusol

Chemical Property:

Vapor Pressure:9.03E-11mmHg at 25°C
Boiling Point:503.8°Cat760mmHg
PKA:10.06±0.20(Predicted)
Flash Point:242.3°C
PSA：40.46000
Density:1.202g/cm³
LogP:4.12320
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:266.130679813
Heavy Atom Count:20
Complexity:366

Purity/Quality:

≥98% ^*data from raw suppliers

Juncusol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC2=C1CCC3=CC(=C(C(=C32)C=C)C)O)O

Technology Process of Juncusol

There total 24 articles about Juncusol 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: 84.0%

: 66447-86-7
juncusol dimethyl ether

: 62023-90-9
juncusol

Guidance literature:: With methyllithium; ethanethiol; In N,N,N,N,N,N-hexamethylphosphoric triamide; 1) 0 deg C, 2) 25 deg C, 3) 160 deg C, 6 h;
DOI:10.1021/jo00195a034

Reference yield: 73.0%

: 161424-41-5
9,10-dihydro-7-methoxy-3,8-dimethyl-4-(2-propenyl)-2-phenanthrenol acetate

: 62023-90-9
juncusol

Guidance literature:: With lithium methanethiolate; In N,N,N,N,N,N-hexamethylphosphoric triamide;
DOI:10.1016/S0040-4039(00)79645-6

Reference yield:

: 2987-06-6
4-(benzyloxy)cyclohexanone

: 62023-90-9
juncusol

Guidance literature:: Multi-step reaction with 14 steps

1: 1)lithium diisopropylamide (LDA), 2) HMPA / 1)THF, -78 deg C to -25 deg C, 1.5 h, 2)THF, -25 deg C to 25 deg C, 3.75 h

2: 90 percent / NaIO₄ / H₂O; methanol / 12 h / 0 - 25 °C

3: t-BuOK/t-BuOH / tetrahydrofuran; 2-methyl-propan-2-ol / 1) 0-5 deg C, 22.5 h, 2) 25 deg C, 23 h

4: 61 percent / K₂CO₃ / acetone / 72 h / Heating

5: 98 percent / H₂ (1 atm) / Pd/C / tetrahydrofuran / 24 h / 25 °C

6: 72 percent / Al(i-OPr)3 / toluene; cyclohexanone / 1.5 h / Heating

7: 1) NaH / 1) THF, 30 min, 0 deg C, 2)10 min, 25 deg C, 3) THF, 0-10 deg C, 2.5 h

8: 75 percent / toluene / 21 h / 140 °C

9: 100 percent / LiAlH₄ / tetrahydrofuran / 1.5 h / 0 - 25 °C

10: 100 percent / HBr(g) / benzene / 0.25 h / Ambient temperature

11: 99 percent / acetonitrile / 18 h / 25 °C

12: 1)t-BuOK, 2)H₂O/HOAc/THF (1:3:3) / 1) DME, -15 to 0 deg C, 1 h, 2) 25 deg C, 1.5 h, 3) 25 deg C, 16 h

13: n-butyllithium / 1)hexane, THF, 25 deg C, 15 min, 2)THF, 25 deg C, 17 h

14: 84 percent / ethanethiol, methyllithium / hexamethylphosphoric acid triamide / 1) 0 deg C, 2) 25 deg C, 3) 160 deg C, 6 h

With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium periodate; lithium aluminium tetrahydride; n-butyllithium; potassium tert-butylate; water; hydrogen bromide; methyllithium; hydrogen; aluminum isopropoxide; sodium hydride; potassium carbonate; acetic acid; ethanethiol; tert-butyl alcohol; lithium diisopropyl amide; palladium on activated charcoal; In tetrahydrofuran; methanol; N,N,N,N,N,N-hexamethylphosphoric triamide; water; cyclohexanone; acetone; toluene; acetonitrile; tert-butyl alcohol; benzene;
DOI:10.1021/jo00195a034