3-Chloro-3-methyl-1-butyne
3-Chloro-3-methyl-1-butyne (CAS: 1111-97-3), a halogenated hydrocarbon with the formula ClC(CH3)2C≡CH, is a valuable organic building block. This compound, with a molecular weight of 102.56 g/mol, plays a role in various chemical syntheses, particularly in the construction of complex heterocyclic systems. Its utility lies in its reactivity as an alkynyl and halogenated precursor, facilitating the formation of new carbon-carbon and carbon-heteroatom bonds.
Synthesis of Benzo[b]pyrano[2,3-i]xanthen-6-ones
3-Chloro-3-methyl-1-butyne has been employed as a key intermediate in the preparation of series of benzo[b]pyrano[2,3-i]xanthen-6-ones and related benzo[b]pyrano[3,2-h]xanthen-7-ones, showcasing its utility in building complex polycyclic aromatic systems.
Preparation of Benzo[a]pyrano[3,2-h]xanthen-7-one Derivatives
This alkynyl halide serves as a precursor for synthesizing specific derivatives such as 6-hydroxy-3,3-dimethyl-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one, highlighting its role in targeted organic synthesis.
Synthesis of Benzo[a]pyrano[2,3-i]xanthen-6-one Derivatives
The compound is utilised in the construction of molecules like 5-hydroxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one, demonstrating its versatility in creating diverse fused ring structures.
Building Block for Heterocyclic Compounds
3-Chloro-3-methyl-1-butyne is a useful building block for the synthesis of heterocyclic frameworks, including the preparation of 3,3-dimethyl-3Hbenzofuro[3,2-f][1]-benzopyran.
| Molecular weight | 102.56 |
|---|---|
| Linear formula | ClC(CH3)2C≡CH |
| Assay | 97% |
| Boiling point | 73-75 °C(lit.) |
| Density | 0.913 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.418(lit.) |
| Storage temperature | 2-8°C |
| Melting point | −61 °C(lit.) |
| Application | 3-Chloro-3-methyl-1-butyne was used in preparation of:• series of benzo[b]pyrano[2,3-i]xanthen-6-ones and benzo[b]pyrano[3,2-h]xanthen-7-ones1• 6-hydroxy-3,3-dimethyl-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one2• 5-hydroxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one2• 3,3-dimethyl-3Hbenzofuro[3,2-f][1]-benzopyran3 |
Hazard statements
- H225Highly flammable liquid and vapour
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H332Harmful if inhaled
Precautionary statements
- P210Keep away from heat, sparks and open flames. No smoking
- P280Wear protective gloves, clothing and eye/face protection
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 4 °C / 39.2 °F |
| Transport (UN / ADR) | UN 1993BF 3 / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | F,Xn |
| Risk statements (R) | 11-20/21/22 |
| Safety statements (S) | 16-26-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 3-Chloro-3-methyl-1-butyne used for?
+
3-Chloro-3-methyl-1-butyne is primarily used as a building block in organic synthesis for the preparation of complex heterocyclic compounds, including various xanthene and benzofuran derivatives.
What are the CAS number and chemical formula for 3-Chloro-3-methyl-1-butyne?
+
The CAS number for 3-Chloro-3-methyl-1-butyne is 1111-97-3, and its linear chemical formula is ClC(CH3)2C≡CH.
What grade and purity does Tech Serve Solutions supply?
+
Tech Serve Solutions supplies 3-Chloro-3-methyl-1-butyne with a minimum assay of 97%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade.
How should 3-Chloro-3-methyl-1-butyne be handled safely?
+
3-Chloro-3-methyl-1-butyne is highly flammable and harmful if swallowed, inhaled, or in contact with skin. Handle in a well-ventilated area, wearing appropriate personal protective equipment including eyeshields, gloves, and a full-face respirator. Store at 2-8°C.
Is 3-Chloro-3-methyl-1-butyne a controlled substance?
+
Based on the provided data, 3-Chloro-3-methyl-1-butyne is not listed as a controlled substance.
How is 3-Chloro-3-methyl-1-butyne packed, shipped, and exported?
+
3-Chloro-3-methyl-1-butyne is shipped as a UN 1993 BF 3 / PGII hazardous material. TSS exports fine chemicals globally, adhering to all relevant shipping regulations.
How can I request a quote or sample?
+
To request a quote or sample of 3-Chloro-3-methyl-1-butyne, please contact our sales team via the website or by phone.
▶ Related products
1-(2-Fluorobenzyl)piperazine
C11H15FN2
Chemical Synthesis
1-(2-Fluorophenyl)biguanide hydrochloride
Chemical Synthesis
1-(2-Fluorophenyl)cyclopropanecarboxylic acid
C10H9FO2
Chemical Synthesis
1-(2-Fluorophenyl)piperazine
C10H13FN2
Chemical Synthesis
1-(2-Fluorophenyl)piperazine monohydrochloride
C10H13FN2 · HCl
Chemical Synthesis
1-(2-Furoyl)-1H-benzotriazole
C11H7N3O2
Chemical Synthesis
1-(2-Furoyl)piperazine
C9H12N2O2
Chemical Synthesis
1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione
Chemical Synthesis
▶ Explore more
3-Methyl-1,5-di-p-tolyl-1,4-pentazadiene
Chemical Synthesis
3-Methyl-1,5-pentanediol
Chemical Synthesis
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
C11H13N3
Chemical Synthesis
3-Methyl-1-(3′-sulfoamidophenyl)-5-pyrazolone
C10H11N3O3S
Chemical Synthesis