3-(Diethylamino)-2,2-dimethylpropan-1-ol is an organic compound with the molecular formula C9H21NO. It is characterized by its diethylamino group and two methyl groups attached to a propane backbone. 3-(Diethylamino)-2,2-dimethylpropan-1-ol is known for its reactivity and is commonly utilized as a building block in the synthesis of various pharmaceuticals and agrochemicals.

39067-45-3

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Basic information
1. Product Name: 3-(DIETHYLAMINO)-2,2-DIMETHYLPROPAN-1-OL
2. Synonyms: 3-(DIETHYLAMINO)-2,2-DIMETHYLPROPAN-1-OL;3-(DiethylaMino)-2,2-diMethylpropanol;NSC 165636;1-Propanol,3-(diethylaMino)-2,2-diMethyl-
3. CAS NO:39067-45-3
4. Molecular Formula: C₉H₂₁NO
5. Molecular Weight: 159.2691
6. EINECS: N/A
7. Product Categories: N/A
8. Mol File: 39067-45-3.mol
Chemical Properties
1. Melting Point: N/A
2. Boiling Point: 227℃
3. Flash Point: 74℃
4. Appearance: /
5. Density: 0.875
6. Vapor Pressure: 0.016mmHg at 25°C
7. Refractive Index: 1.4414
8. Storage Temp.: 2-8°C
9. Solubility: Dichloromethane, Methanol
10. PKA: 15.02±0.10(Predicted)
11. CAS DataBase Reference: 3-(DIETHYLAMINO)-2,2-DIMETHYLPROPAN-1-OL(CAS DataBase Reference)
12. NIST Chemistry Reference: 3-(DIETHYLAMINO)-2,2-DIMETHYLPROPAN-1-OL(39067-45-3)
13. EPA Substance Registry System: 3-(DIETHYLAMINO)-2,2-DIMETHYLPROPAN-1-OL(39067-45-3)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 39067-45-3(Hazardous Substances Data)

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Uses

Used in Pharmaceutical Industry:
3-(Diethylamino)-2,2-dimethylpropan-1-ol is used as a reactant for the synthesis of several local anesthetics. Its presence in the molecular structure contributes to the anesthetic properties, making it an essential component in the development of these medications.
Used in Pharmaceutical Industry (continued):
3-(Diethylamino)-2,2-dimethylpropan-1-ol is also used as a reactant in the preparation of histamine H3 receptor antagonists. Histamine H3 receptor antagonists are important in the treatment of various conditions, including cognitive disorders and allergies, by blocking the action of histamine on the H3 receptor.
Used in Agrochemical Industry:
3-(Diethylamino)-2,2-dimethylpropan-1-ol is used as a reactant in the production of herbicides. Its incorporation into the chemical structure of these herbicides aids in their effectiveness in controlling and eliminating unwanted plant growth, making it a valuable component in the agrochemical industry.

Synthesis Reference(s)

The Journal of Organic Chemistry, 15, p. 301, 1950 DOI: 10.1021/jo01148a011

Check Digit Verification of cas no

The CAS Registry Mumber 39067-45-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,0,6 and 7 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 39067-45:
(7*3)+(6*9)+(5*0)+(4*6)+(3*7)+(2*4)+(1*5)=133
133 % 10 = 3
So 39067-45-3 is a valid CAS Registry Number.

InChI:InChI=1/C9H21NO/c1-5-10(6-2)7-9(3,4)8-11/h11H,5-8H2,1-4H3

39067-45-3Upstream product

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