1,7-Dimethylnaphthalene

Base Information

• Chemical Name: 1,7-Dimethylnaphthalene
• CAS No.: 575-37-1
• Molecular Formula: C12H12
• Molecular Weight: 156.227
• Hs Code.: 2902909090
• European Community (EC) Number: 209-382-5
• NSC Number: 60773
• UNII: TRF323Y1QW
• DSSTox Substance ID: DTXSID7073197
• Nikkaji Number: J45.111H
• Wikidata: Q27121289
• Metabolomics Workbench ID: 57064
• ChEMBL ID: CHEMBL373024
• Mol file: 575-37-1.mol

Synonyms:1,7-DIMETHYLNAPHTHALENE;575-37-1;Naphthalene, 1,7-dimethyl-;1,7-DMN;1,7-Dimethyl-Naphthalene;UNII-TRF323Y1QW;TRF323Y1QW;CHEMBL373024;CHEBI:48612;EINECS 209-382-5;NSC 60773;NSC-60773;NSC60773;MFCD00060884;1,7-Dimethyl naphthalene;Naphthalene, 3,5-dimethyl;1,7-Dimethylnaphthalene, 99%;DTXSID7073197;BDBM50159248;AKOS015913485;FT-0607026;Q27121289

Chemical Property of 1,7-Dimethylnaphthalene

Chemical Property:

• Melting Point: -12.99°C
• Refractive Index: n20/D 1.605(lit.)
• Boiling Point: 262 °C at 760 mmHg
• Flash Point: 108.7 °C
• PSA: 0.00000
• Density: 1 g/cm³
• LogP: 3.45660
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in water 11.5 mg/L @ 25°C.
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 156.093900383
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99%, ^*data from raw suppliers

1,?7-?Dimethylnaphthalene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Naphthalenes
• Canonical SMILES: CC1=CC2=C(C=CC=C2C=C1)C
• Uses: 1,7-Dimethylnaphthalene is found in volatile oil of Phyllostachys violascens, Sinobambusa tootsik, Sasa subglabra and Pleioblastus kongosanensis leaf from different provenance and 1,7-dimethyl-naphthalene showed differential antioxidant activity.

Technology Process of 1,7-Dimethylnaphthalene

There total 40 articles about 1,7-Dimethylnaphthalene 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: 51.0%

4,6-dimethylnaphthalene-1-ammonium hydrochloride → 1,7-dimethylnaphthalene (575-37-1)

Guidance literature:

With hypophosphorous acid; at 0 ℃;

DOI:10.1016/S0040-4039(01)00938-8

Reference yield:

polyethylene → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1,6-dimethylnaphthalene (575-43-9) + Diphenylmethane (101-81-5) + 1,7-dimethylnaphthalene (575-37-1)

Guidance literature:

With air; at 900 ℃; Further byproducts given; Formation of xenobiotics;

DOI:10.1016/S0045-6535(99)00054-5

Reference yield:

carbon monoxide (201230-82-2) → methane (34557-54-5,27936-85-2) + ethane (74-84-0) + 1-Methyl-3-ethylbenzene (620-14-4) + carbon dioxide (124-38-9,18923-20-1) + para-xylene (106-42-3) + ethylbenzene (100-41-4,27536-89-6) + 1,2,4-Trimethylbenzene (95-63-6) + 1,2,4,5-tetramethylbenzene (95-93-2) + 1,7-dimethylnaphthalene (575-37-1) + 1-Methylnaphthalene (90-12-0,34475-76-8) + m-xylene (108-38-3,104809-90-7) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

With hydrogen; at 350 ℃; under 24032.3 Torr;

DOI:10.1016/j.apcata.2014.04.044

upstream raw materials:

1,7-dimethyl-1,2,3,4-tetrahydronaphthalene

4,6-dimethyl-1,2-dihydro-naphthalene

(+/-)-1-Hydroxy-1.7-dimethyl-1.2.3.4-tetrahydro-naphthalin

4,6-dimethyl-[2]naphthoic acid

Downstream raw materials:

trans-1,7-Distyryl-naphthalin

1,4,6-trimethylnaphthalene

2,7-dimethylnaphthalene

2,10-Dimethylphenanthrene

Refernces

• 1、 Wang, Yongchao,Kikhtyanin,Li, Cheng,Su, Xiaofang,Bai, Xuefeng,Wu, Wei. "Synthesis of Nanosized ZSM-5 Zeolites by Different Methods and Their Catalytic Performance in the Alkylation of Naphthalene". . p. 394 - 406. Retrieved 2021/02/26.
• 2、 Güle?, Fatih,Niftaliyeva, Aysel,Karaduman, Ali. "Selective synthesis of 2,6-triad dimethylnaphthalene isomers by disproportionation of 2-methylnaphthalene over mesoporous MCM-41". . p. 7205 - 7218. Retrieved 2018/08/22.