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CAS

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2802-08-6

1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98, also known as trans-4-(Dimethylamino)-3-buten-2-one, is an α,β-unsaturated ketone with a clear reddish-brown to dark brown liquid appearance. It has a specific enthalpy of vaporization at its boiling point (474.25K) of 41.416 kJ/mol.

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  • 2802-08-6 Structure

  • Basic information

    1. Product Name: 1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98
    2. Synonyms: 1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98;1-Dimetylamino-but-1-en-3-one;3-Buten-2-one, 4-(dimethylamino)-, (3E)- (9CI);1-DIMETHYLAMINO-BUT-1-EN-3-ONE 98%;4-(diMethylaMino)but-3-en-2-one;3-Buten-2-one,4-(diMethylaMino)-, (3E)-;trans-4-(DiMethylaMino)-3-buten-2-one 97%
    3. CAS NO:2802-08-6
    4. Molecular Formula: C6H11NO
    5. Molecular Weight: 113.15764
    6. EINECS: N/A
    7. Product Categories: ACETYLGROUP;C3 to C6;Carbonyl Compounds;Ketones
    8. Mol File: 2802-08-6.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 101-102 °C5 mm Hg(lit.)
    3. Flash Point: 225 °F
    4. Appearance: clear reddish-brown to dark brown liquid
    5. Density: 0.973 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 1.56mmHg at 25°C
    7. Refractive Index: n20/D 1.557(lit.)
    8. Storage Temp.: 2-8°C
    9. Solubility: DMSO (Slightly), Methanol (Slightly)
    10. PKA: 5.56±0.70(Predicted)
    11. CAS DataBase Reference: 1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98(2802-08-6)
    13. EPA Substance Registry System: 1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98(2802-08-6)

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 2802-08-6(Hazardous Substances Data)

2802-08-6 Usage

Uses

1. Used as a synthetic reagent:
1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98 is used as a synthetic reagent for the preparation of various substances, contributing to the chemical industry's ability to create a wide range of products.
2. Used in the preparation of 1,3,5-triacetylbenzene:
In the chemical industry, 1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98 is utilized in the preparation of 1,3,5-triacetylbenzene, which is an important intermediate in the synthesis of various organic compounds.
3. Used in the pharmaceutical industry:
Although not explicitly mentioned in the provided materials, given its role as a synthetic reagent, 1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98 may also be used in the pharmaceutical industry for the synthesis of various drugs and medicinal compounds.
4. Used in the fragrance industry:
Similarly, while not explicitly stated, the compound's involvement in synthetic preparations may extend to the fragrance industry, where it could be used to create or modify scents for perfumes, cosmetics, and other scented products.
5. Used in the research and development sector:
1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98 may also be employed in research and development settings, where its unique chemical properties could be explored for new applications and advancements in various scientific fields.

Synthesis Reference(s)

The Journal of Organic Chemistry, 52, p. 2929, 1987 DOI: 10.1021/jo00389a052

Check Digit Verification of cas no

The CAS Registry Mumber 2802-08-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,8,0 and 2 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 2802-08:
(6*2)+(5*8)+(4*0)+(3*2)+(2*0)+(1*8)=66
66 % 10 = 6
So 2802-08-6 is a valid CAS Registry Number.
InChI:InChI=1/C6H11NO/c1-6(8)4-5-7(2)3/h4-5H,1-3H3/b5-4+

2802-08-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (E)-4-(dimethylamino)but-3-en-2-one

1.2 Other means of identification

Product number -
Other names 1-Dimethylamino-but-1-en-3-one

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:2802-08-6 SDS

2802-08-6Relevant articles and documents

A formal total synthesis of dysidiolide

Paczkowski, Ralph,Maichle-Moessmer, Caecilia,Maier, Martin E.

, p. 3967 - 3969 (2007/10/03)

(Matrix presented) A formal total synthesis of the natural product dysidiolide is described. Starting from a Diels-Alder reaction between an enoate and a Rawal diene, the cyclohexenone 4 was synthesized. A subsequent stereospecific methyl cuprate addition established the desired trans configuration in the cyclohexane 3. Wacker oxidation of the pentenyl side chain to the diketone 17 followed by an intramolecular aldol condensation led to the bicyclic enone 2, a key intermediate in a recently reported synthesis of dysidiolide.

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