Garlicin

Base Information

Chemical Name:Garlicin
CAS No.:138540-99-5
Molecular Formula:C8H12O4
Molecular Weight:172.17848
Hs Code.:
DSSTox Substance ID:DTXSID40569000
Mol file:138540-99-5.mol

Synonyms:allitin;allyl disulfide;allyll disulfide;diallyl disulfide;diallyl disulphide;Garlicin

Suppliers and Price of Garlicin

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

American Custom Chemicals Corporation
GARLICIN 95.00%
5MG
$ 499.14

Total 13 raw suppliers

Chemical Property of Garlicin

Chemical Property:

PSA：66.76000
LogP:-0.70880
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:172.07355886
Heavy Atom Count:12
Complexity:203

Purity/Quality:

99% ^*data from raw suppliers

GARLICIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes: Xn:Harmful;
Statements: R10:; R22:; R36/37/38:;
Safety Statements: S16:; S26:; S37/39:;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(C2C(C1O)COC2=O)O

Technology Process of Garlicin

There total 5 articles about Garlicin 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: 89.0%

: 138661-23-1
(3aRS,4RS,7aRS)-4-Hydroxyperhydroisobenzofuran-1,7-dione

: 138540-99-5
(3aRS,4RS,7SR,7aRS)-4,7-Dihydroxyperhydroisobenzofuranone

Guidance literature:: With formic acid; hydrogen; platinum(IV) oxide; In methanol; for 48h; under 18751.5 Torr;

Reference yield:

: 138540-95-1
(3aRS,4RS,7RS,7aSR)-4-Benzoyloxy-3a,4,7,7a-tetrahydro-4,7-epoxyisobenzofuran-1,3-dione

: 138540-99-5
(3aRS,4RS,7SR,7aRS)-4,7-Dihydroxyperhydroisobenzofuranone

Guidance literature:: Multi-step reaction with 5 steps

1: 71 percent / H₂ / 10percent Pd/C / ethyl acetate / 750.06 Torr

2: 80 percent / NaBH₄ / ethanol / 2 h / Ambient temperature

3: 1) NaOCH₃, 2) Dowex 50W-X₈, H⁺ form / 1) methanol, 1 h, rt, 2) 10 min

4: 87 percent / Dowex 50W-X₈, H⁺ form / H₂O / 3 h / 50 °C

5: 89 percent / H₂, formic acid / PtO₂ / methanol / 48 h / 18751.5 Torr

With sodium tetrahydroborate; formic acid; Dowex 50W-X₈; hydrogen; sodium methylate; hydrogen cation; platinum(IV) oxide; palladium on activated charcoal; In methanol; ethanol; water; ethyl acetate;

Reference yield:

: 138540-97-3
(3aRS,4RS,7RS,7aRS)-7-Benzoyloxyperhydro-4,7-epoxyisobenzofuranone

: 138540-99-5
(3aRS,4RS,7SR,7aRS)-4,7-Dihydroxyperhydroisobenzofuranone

Guidance literature:: Multi-step reaction with 3 steps

1: 1) NaOCH₃, 2) Dowex 50W-X₈, H⁺ form / 1) methanol, 1 h, rt, 2) 10 min

2: 87 percent / Dowex 50W-X₈, H⁺ form / H₂O / 3 h / 50 °C

3: 89 percent / H₂, formic acid / PtO₂ / methanol / 48 h / 18751.5 Torr

With formic acid; Dowex 50W-X₈; hydrogen; sodium methylate; hydrogen cation; platinum(IV) oxide; In methanol; water;