4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)sulfonyl)benzoic acid

Base Information

Chemical Name:4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)sulfonyl)benzoic acid
CAS No.:179762-66-4
Molecular Formula:C22H26O4S
Molecular Weight:386.5044
Hs Code.:
DSSTox Substance ID:DTXSID70170860
Nikkaji Number:J775.108G
Wikidata:Q83040874
ChEMBL ID:CHEMBL118307

Synonyms:4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)sulfonyl)benzoic acid;179762-66-4;CHEMBL118307;SCHEMBL8894039;DTXSID70170860;KQMSXVAVLCYBDG-UHFFFAOYSA-N;BDBM50052957;4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalene-2-sulfonyl)-benzoic acid;4-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthylsulfonyl)benzoic acid;4-[[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethylnaphthalen)-2-yl]sulfonyl]benzoic acid

Suppliers and Price of 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)sulfonyl)benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)sulfonyl)benzoic acid

Chemical Property:

Vapor Pressure:6.65E-13mmHg at 25°C
Boiling Point:549.4°C at 760 mmHg
Flash Point:286.1°C
Density:1.17g/cm³
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:386.15518048
Heavy Atom Count:27
Complexity:665

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1S(=O)(=O)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

Technology Process of 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)sulfonyl)benzoic acid

There total 4 articles about 4-((5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)sulfonyl)benzoic acid 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: 98.0%

: 190596-57-7
ethyl 4-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthylsulfonyl)benzoate

: 179762-66-4
4-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthylsulfonyl)benzoic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; at 50 ℃; for 3h;
DOI:10.1021/jm960386h

Reference yield:

: 51934-41-9
4-iodobenzoic acid ethyl ester

: 179762-66-4
4-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthylsulfonyl)benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH, 2.) CuI / 1.) HMPA, 50 deg C, 30 min, 2.) HMPA, a) 90 deg C, 5 h, 2.) RT, overnight

2: 94 percent / m-chloroperoxybenzoic acid / CH₂Cl₂ / 3 h / Ambient temperature

3: 98 percent / 1N aq. LiOH / tetrahydrofuran / 3 h / 50 °C

With lithium hydroxide; copper(l) iodide; sodium hydride; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm960386h

Reference yield:

: 122284-29-1
5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalene thiol

: 179762-66-4
4-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthylsulfonyl)benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH, 2.) CuI / 1.) HMPA, 50 deg C, 30 min, 2.) HMPA, a) 90 deg C, 5 h, 2.) RT, overnight

2: 94 percent / m-chloroperoxybenzoic acid / CH₂Cl₂ / 3 h / Ambient temperature

3: 98 percent / 1N aq. LiOH / tetrahydrofuran / 3 h / 50 °C

With lithium hydroxide; copper(l) iodide; sodium hydride; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm960386h