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(4-tert-butyl-2,6-dimethylphenyl)acetonitrile, also known as DMTBBN, is a chemical compound characterized by its molecular formula C14H21N. This aromatic nitrile is recognized for its role as a building block in the synthesis of complex organic compounds. It manifests as a white crystalline solid with a distinctive, somewhat aromatic odor. DMTBBN's primary function is as a reagent in organic synthesis, where it is instrumental in the formation of carbon-carbon and carbon-heteroatom bonds. Its applications extend to the production of pharmaceuticals and agrochemicals, making it a valuable asset in the realm of organic chemistry due to its versatility and utility in a range of chemical reactions.

84803-57-6

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84803-57-6 Usage

Uses

Used in Organic Synthesis:
(4-tert-butyl-2,6-dimethylphenyl)acetonitrile is used as a reagent for the formation of carbon-carbon and carbon-heteroatom bonds, facilitating the synthesis of complex organic compounds.
Used in Pharmaceutical Production:
DMTBBN is utilized as a key intermediate in the production of pharmaceuticals, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Production:
In the agrochemical industry, (4-tert-butyl-2,6-dimethylphenyl)acetonitrile is employed as a building block for the synthesis of various agrochemicals, enhancing crop protection and management strategies.
Each of these applications underscores the importance of DMTBBN in advancing chemical research and development across different sectors.

Check Digit Verification of cas no

The CAS Registry Mumber 84803-57-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,4,8,0 and 3 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 84803-57:
(7*8)+(6*4)+(5*8)+(4*0)+(3*3)+(2*5)+(1*7)=146
146 % 10 = 6
So 84803-57-6 is a valid CAS Registry Number.
InChI:InChI=1/C14H19N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6H2,1-5H3

84803-57-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-tert-butyl-2,6-dimethylphenyl)acetonitrile

1.2 Other means of identification

Product number -
Other names (4-tert-butyl-2,6-dimethyl-phenyl)-acetonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:84803-57-6 SDS

84803-57-6Synthetic route

4-tert-butyl-2,6-dimethylbenzyl chloride
19387-83-8

4-tert-butyl-2,6-dimethylbenzyl chloride

potassium cyanide
151-50-8

potassium cyanide

4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

Conditions
ConditionsYield
With ethanol
5-tert-Butyl-m-xylene
98-19-1

5-tert-Butyl-m-xylene

4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: HCl; ZnCl2 / 50 °C
2: ethanol
View Scheme
m-xylene
108-38-3

m-xylene

4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: FeCl3
2: HCl; ZnCl2 / 50 °C
3: ethanol
View Scheme
Multi-step reaction with 3 steps
1: aqueous H2SO4 / 65 - 70 °C
2: HCl; ZnCl2 / 50 °C
3: ethanol
View Scheme
4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

2-(2,6-dimethyl-4-tert-butylphenyl)-1-aminoethane
93720-89-9

2-(2,6-dimethyl-4-tert-butylphenyl)-1-aminoethane

Conditions
ConditionsYield
With hydrogen; 10% palladium on active carbon In methanol under 2068.6 Torr;76%
ethanol
64-17-5

ethanol

4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

2-(4-tert-Butyl-2,6-dimethyl-phenyl)-acetimidic acid ethyl ester
208719-08-8

2-(4-tert-Butyl-2,6-dimethyl-phenyl)-acetimidic acid ethyl ester

Conditions
ConditionsYield
With hydrogenchloride In diethyl ether; ethanol at 0℃; for 2h;56%
4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

(4-tert-butyl-2,6-dimethyl-phenyl)-acetic acid
854646-92-7

(4-tert-butyl-2,6-dimethyl-phenyl)-acetic acid

Conditions
ConditionsYield
With potassium hydroxide
4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

2-(4-tert-butyl-2,6-dimethyl-phenyl)-4-phenyl-butyronitrile

2-(4-tert-butyl-2,6-dimethyl-phenyl)-4-phenyl-butyronitrile

Conditions
ConditionsYield
With sodium amide; toluene anschliessend Behandeln mit Phenaethylbromid;
4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

ethylenediamine
107-15-3

ethylenediamine

xylometazoline
526-36-3

xylometazoline

Conditions
ConditionsYield
With carbon disulfide
methyl magnesium iodide
917-64-6

methyl magnesium iodide

4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

1-(4-tert-Butyl-2,6-dimethyl-phenyl)-propan-2-one

1-(4-tert-Butyl-2,6-dimethyl-phenyl)-propan-2-one

4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

Trimethylenediamine
109-76-2

Trimethylenediamine

2-(4-t-butyl-2,6-dimethylbenzyl)-1,4,5,6-tetrahydropyrimidine

2-(4-t-butyl-2,6-dimethylbenzyl)-1,4,5,6-tetrahydropyrimidine

Conditions
ConditionsYield
With ethylenediamine p-toluenesulfonate at 200℃; for 1h;
4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

N-monomethyl-2-(2,6-dimethyl-4-tert-butylphenyl)-1-aminoethane
208718-97-2

N-monomethyl-2-(2,6-dimethyl-4-tert-butylphenyl)-1-aminoethane

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 76 percent / H2 / 10percentPd/C / methanol / 2068.6 Torr
2: Et3N / tetrahydrofuran / Ambient temperature
3: LiAlH4 / tetrahydrofuran / 4 h / Heating
View Scheme
4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

[2-(4-tert-Butyl-2,6-dimethyl-phenyl)-ethyl]-carbamic acid ethyl ester

[2-(4-tert-Butyl-2,6-dimethyl-phenyl)-ethyl]-carbamic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 76 percent / H2 / 10percentPd/C / methanol / 2068.6 Torr
2: Et3N / tetrahydrofuran / Ambient temperature
View Scheme
4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

4-t-butyl-2,6-dimethylbenzeneethanimidamide

4-t-butyl-2,6-dimethylbenzeneethanimidamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 56 percent / HCl(gas) / diethyl ether; ethanol / 2 h / 0 °C
2: NH3(gas) / ethanol / Ambient temperature
View Scheme
4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

2-[(4-t-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1-methylimidazole
208718-93-8

2-[(4-t-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1-methylimidazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 56 percent / HCl(gas) / diethyl ether; ethanol / 2 h / 0 °C
2: ethanol / 1.) 0 deg C, 1 h, 2.) reflux, 20 min
View Scheme
4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

(4-tert-butyl-2,6-dimethyl-phenyl)-acetic acid amide

(4-tert-butyl-2,6-dimethyl-phenyl)-acetic acid amide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ethanolic KOH-solution
2: thionyl chloride / Behandeln des Saeurechlorids mit wss. Ammoniak
View Scheme
4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

[2-(4-tert-Butyl-2,6-dimethyl-phenyl)-1-methyl-ethyl]-(1-methyl-3,3-diphenyl-propyl)-amine

[2-(4-tert-Butyl-2,6-dimethyl-phenyl)-1-methyl-ethyl]-(1-methyl-3,3-diphenyl-propyl)-amine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: (i) toluene, (ii) H2, PtO2, MeOH
View Scheme
4-tert-butyl-2,6-dimethylphenylacetonitrile
84803-57-6

4-tert-butyl-2,6-dimethylphenylacetonitrile

[2-(4-tert-Butyl-2,6-dimethyl-phenyl)-1-methyl-ethyl]-methyl-(1-methyl-3,3-diphenyl-propyl)-amine

[2-(4-tert-Butyl-2,6-dimethyl-phenyl)-1-methyl-ethyl]-methyl-(1-methyl-3,3-diphenyl-propyl)-amine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
2: (i) toluene, (ii) H2, PtO2, MeOH
3: formic acid / water / 100 °C
View Scheme
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