Merulidial

Base Information

Chemical Name:Merulidial
CAS No.:68053-32-7
Molecular Formula:C15H20O3
Molecular Weight:248.3175
Hs Code.:
UNII:08Y2276EUV
DSSTox Substance ID:DTXSID801034325
Nikkaji Number:J261.823K
Wikidata:Q27896572
Metabolomics Workbench ID:28399
Mol file:68053-32-7.mol

Synonyms:merulidial

Suppliers and Price of Merulidial

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
MERULIDIAL 95.00%
5MG
$ 498.66

Total 3 raw suppliers

Chemical Property of Merulidial

Chemical Property:

Vapor Pressure:2.62E-07mmHg at 25°C
Boiling Point:379.2°Cat760mmHg
Flash Point:197.3°C
PSA：54.37000
Density:1.19g/cm³
LogP:1.88790
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:248.14124450
Heavy Atom Count:18
Complexity:476

Purity/Quality:

99% ^*data from raw suppliers

MERULIDIAL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC2C(C3(CC3(C(=C2C1)C=O)C=O)C)O)C
Isomeric SMILES:C[C@@]12C[C@@]1(C(=C3CC(C[C@H]3[C@@H]2O)(C)C)C=O)C=O

Technology Process of Merulidial

There total 9 articles about Merulidial 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: 81.0%

: 143836-96-8
(1aR,5aR,6S,6aR)-6-(tert-Butyl-dimethyl-silanyloxy)-4,4,6a-trimethyl-3,4,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indene-1a,2-dicarbaldehyde

: 68053-32-7
Merulidial

Guidance literature:: With hydrogen fluoride; In acetonitrile; 0 deg C to r.t.;
DOI:10.1016/S0040-4039(00)61307-2

Reference yield:

: 143836-94-6
(1aR,2S,2aR,6S,6aS)-6,6a-Bis-hydroxymethyl-1a,4,4-trimethyl-1,1a,2,2a,3,4,6,6a-octahydro-cyclopropa[f]inden-2-ol

: 68053-32-7
Merulidial

Guidance literature:: Multi-step reaction with 3 steps

2: 1.) DMSO, (COCl)2, 2.) (C₂H₅)3N / 1.) CH₂Cl₂, -60 to -50 deg C

3: 81 percent / aq. HF / acetonitrile / 0 deg C to r.t.

With oxalyl dichloride; hydrogen fluoride; dimethyl sulfoxide; triethylamine; In acetonitrile;
DOI:10.1016/S0040-4039(00)61307-2

Reference yield:

: 143836-90-2
C₁₅H₁₈O₃

: 68053-32-7
Merulidial

Guidance literature:: Multi-step reaction with 7 steps

1: MCPBA, KF / CH₂Cl₂ / 0 °C

2: (i-C₃H₇)2NC₂H₅ / -78 °C

3: LiBF₄ / CHCl₃ / 50 °C / ultrasonication

4: LAH / 1,2-dimethoxy-ethane / 82 °C

6: 1.) DMSO, (COCl)2, 2.) (C₂H₅)3N / 1.) CH₂Cl₂, -60 to -50 deg C

7: 81 percent / aq. HF / acetonitrile / 0 deg C to r.t.

With potassium fluoride; lithium aluminium tetrahydride; lithium tetrafluoroborate; oxalyl dichloride; hydrogen fluoride; dimethyl sulfoxide; triethylamine; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; In 1,2-dimethoxyethane; dichloromethane; chloroform; acetonitrile;
DOI:10.1016/S0040-4039(00)61307-2