145818-28-6

Basic information

• Product Name: 4-TERT-BUTYL-2-HYDROXYBENZONITRILE
• Synonyms: 4-TERT-BUTYL-2-HYDROXYBENZONITRILE
• CAS NO: 145818-28-6
• Molecular Formula: C₁₁H₁₃NO
• Molecular Weight: 175.23
• Mol File: 145818-28-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 301.4±35.0 °C(Predicted)
• Appearance: /
• Density: 1.07±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 7.29±0.10(Predicted)
• CAS DataBase Reference: 4-TERT-BUTYL-2-HYDROXYBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYL-2-HYDROXYBENZONITRILE(145818-28-6)
• EPA Substance Registry System: 4-TERT-BUTYL-2-HYDROXYBENZONITRILE(145818-28-6)

Safety Data

• Hazardous Substances Data: 145818-28-6(Hazardous Substances Data)

Upstream product

• 585-34-2 3-tert-butylphenyol 
• 4210-32-6 4-tert-butyl benzonitrile 
• 545-06-2 trichloroacetonitrile 

Downstream Products

• 401909-49-7 4-tert-butyl-2-(2-methoxy-ethoxy)-benzonitrile 
• 1338065-77-2 4-tert-butyl-2-pyrrolidin-1-yl-benzonitrile 
• 935520-25-5 4-tert-butyl-2-cyclohexyloxy-benzylamine 
• 935520-27-7 4-tert-butyl-2-cyclopentyloxy-benzylamine 
• 935520-24-4 4-tert-butyl-2-isobutoxy-benzylamine 

Relevant articles and documents

Lewis acid-promoted site-selective cyanation of phenols

An efficient Lewis acid-promoted site-selective electrophilic cyanation of 3-substituted and 3,4-disubstituted phenols has been developed. The cyanation reactions using MeSCN as the cyanating reagent proceeded efficiently to afford a wide range of 2-hydroxybenzonitriles with high efficiency and excellent regioselectivity. This protocol could provide a practical method for the synthesis and modification of biologically active molecules.

HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS

A compound of formula (I): wherein either B is absent and A and Z are the same or different and are each hydrogen, halogen, alkyl, hydroxy, alkoxy,-CN,-C(Rc)2OH,-N(Rd)C(=X)Rc,-C(=X)N(Rc)(Rd),-S(O)m-Rc,-N(Rc)(Rd)S(O)2,-S(O)2N(R c)(Rd),-N(Re)2, aryl optionally substituted with Ra or-O-aryl optionally substituted with Ra; or B is present and is-(CH2)n-,-C(Rb)2-or-O-, or B taken together with A or Z can be-C=C(Rb)-,-C(Rb)=C-,-CH2-CH(R b)-or-CH(Rb)-CH2-; D is-O-or-S(O) m,-; E is a bond or is-(CH2)n-,-N(R d)-,-(CH2)nN(Rd)-or-N(R d)(CH2)n-; F is-C(=X)-; G is-(CH2 )n-,-N(Rd)-,-(CH2)nN(R d)-or-N(Rd)(CH2)n; J is a bond,-O-,-N(RC)C(=X)-,-C(=X)N(Rc)-,-S(O)m,-,-N(Rc)S(O)m-,-S(O)nN(Rc)-,-N(Re)-or-N(Rg)(Rh); K is a bond, alkylene, cycloalkylene, cycloalkenylene, arylene, heterocycloalkylene, heterocycloalkylene or heteroarylene; and L is hydrogen or a terminal group; has therapeutic utility.

TEMPLATE HOUBEN-HOESCH REACTION ON METAL PHENOLATES. SYNTHESIS OF AROMATIC KETONES, NITRILES AND AMIDES. CRYSTAL STRUCTURE OF DICHLORO-BORON

The crystal structure of dichloro-boron (6dx) establishes for the first time the coordination mechanism of the ortho-selective reaction of metal phenolates and nitriles.Crystal data: chemical formula C9H7BCl5NO2; a = 11.743(2), b = 13.390(2), c = 8.765(3) Angstroem, β = 99.71(2) deg; space group P21/n.Variously substituted aromatic ketones, nitriles and amides have been obtained in a "one-pot" reaction.