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Home > Encyclopedia > 1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene structure

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene 

structure
  • CAS No:

    6683-46-1

  • Formula:

    C14H20

  • Chemical Name:

    1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene

  • Synonyms:

    Naphthalene,1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-;1,2,3,4-Tetrahydro-1,1,4,4-tetramethylnaphthalene;1,1,4,4-Tetramethyltetralin;1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene;NSC 17400;1,1,4,4-Tetramethyl-2,3-dihydronaphthalene

  • Categories:

    Pharmaceutical Intermediates  >  Antineoplastics

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene Basic Attributes

188.31

188.31

229-723-1

YKU41EDL5Y

17400

DTXSID6064452

2902909090

Characteristics

0

5

0.9482 g/cm3 @ Temp: 27 °C

115-120 °C

82-84 °C

101.2±7.1 °C

1.491

Safety Information

23-26-36/37/39

Xi

P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H312

|Warning|H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene Use and Manufacturing

Methods of Manufacturing

a) l, l, 4, 4-tetramethyl-l, 2, 3, 4-tetrahydronaphth.alene (18): 2, 5-dichloro-2, 5- dimethylhexane (300 mg, 1.64 mmol, 1 eq) was dissolved in dry benzene (25 mL). A1C1In a 250 mL round-bottomed flask was weighed T-1 (11.0 g, 60 mmol). Dry benzene (240 mL) was added and then AICITo a solution of 2, 5-dichloro-2, 5-dimethyl hexane 20(2.0 mmol) in benzene 21 (2 mL mmol-1), AlCl3 (0.2 mmol)was added and the reaction mixture was stirred under refluxin nitrogen atmosphere for 64 h. Excess benzene 21 wasdistilled off and the resulting mixture was poured intodistilled water. The mixture was extracted with ethyl acetateand the organic phase was dried over MgSO4. The solventwas removed under vacuum. The residue was purified bydistillation at low pressure (0.5 mm Hg), and the product 22was collected between 90 and 120 °C as a colorless oil in82percent yield. 1H NMR (300 MHz, CDCl3) δ 1.30 (s, 12H, 3CH3), 1.71 (s, 4H, 2CH2), 7.15 (m, 2H, Ar-H), 7.33 (m, 2H, Ar-H); 13C NMR (75 MHz, CDCl3) δ 31.88, 34.19, 35.10, 125.52, 126.45, 144.74.

Naphthalene, 1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:188.31
XLogP3:5
Exact Mass:188.156500638
Monoisotopic Mass:188.156500638
Heavy Atom Count:14
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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