2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate | CAS No. 78-44-4

Q: What is 2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4)?

2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4) is an organic compound characterized by its complex structure featuring carbamate functional groups. It is a white to pale yellow solid with a molecular formula of C13H25NO4 and is commonly used in chemical synthesis due to its reactivity and versatility.

Q: What are the main uses of 2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4)?

This compound is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in industrial chemistry for the synthesis of various derivatives and in the production of specialty chemicals. Its unique structure makes it valuable in the development of agrochemicals and polymer-based materials.

Q: Is 2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4) safe?

2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4) is generally considered safe when handled properly. However, it should be treated with care as it may cause skin and eye irritation. Safety standards recommend using personal protective equipment (PPE) such as gloves and goggles, and working in a well-ventilated area to minimize exposure.

Q: How should 2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4) be stored?

To ensure stability, 2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4) should be stored in a cool, dry place away from direct light. It is best kept in a sealed, airtight container to prevent moisture absorption. Storage at temperatures below 25°C and in low humidity conditions is recommended to maintain its chemical integrity.

2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate

Basic Information

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CAS Number

78-44-4

Molecular Formula

C12H24N2O4

Molecular Weight

260.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

92.0 to 96.0 deg-C

Boiling Point

170°C/2mmHg

Density

1.1035 (rough estimate)

Water Solubility

<0.1 g/100 mL at 19.5 ºC

Flash Point

209.9±24.0 °C

Refractive Index

1.4560 (estimate)

SMILES

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CCCC(C)(COC(=O)N)COC(=O)NC(C)C

InChI

InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)

InChIKey

OFZCIYFFPZCNJE-UHFFFAOYSA-N

LogP

2.0227

Topological Polar Surface Area

90.65 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

281

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in mice, rats (mg/kg): 2340, 1320 orally; 980, 450 i.p. (Berger)

Synonyms & References

English

Carisoprodol
isopropylcarbamic acid ester with 2-(hydroxymethyl)-2-methylpentyl carbamate
n-isopropyl 2-methyl-2-propyl-1,3-propanediol dicarbamate
(1-Methylethyl)carbamic acid 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl ester
(1-methylethyl)-carbamicaci2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl
(1-methylethyl)carbamicacid2-(((aminocarbonyl)oxy)methyl)-2-methylpentyles
1,3-Propanediol, 2-methyl-2-propyl-, carbamate isopropylcarbamate
2-Methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate
1-Carbamoyloxy-2-isopropylcarbamoyloxymethyl-2-methyl-pentan
1-Carbamoyloxy-3-isopropylcarbamoyloxy-2-methyl-2-propyl-propan
4-Methyl-4-propyl-2,6-dioxa-heptandisaeure-amid-isopropylamid
4-methyl-4-propyl-2,6-dioxa-heptanedioic acid amide-isopropylamide
Apesan
Arusal
Brianil
Calenfa
Carisol
cb8019
Flexal
Mioril
N-isopropyl 2-methyl-2-propyl-propane-1,3-diol di(carbamate)
RELA
Sanoma
Carisoprodol 2-methyl-2-n-propyl-1,3-propanediol dicarbamate
2-[(Carbamoyloxy)methyl]-2-methylpentyl Isopropylcarbamate
Isopropylcarbamic Acid 2-[(Carbamoyloxy)methyl]-2-methylpentyl Ester
Isomeprobamate
Carisoprodate
Carisoprodatum
Isobamate
Isoprotane

MDL Number

MFCD00057661

Customs Code

2924199090

FAQ

What is 2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4)?

2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4) is an organic compound characterized by its complex structure featuring carbamate functional groups. It is a white to pale yellow solid with a molecular formula of C13H25NO4 and is commonly used in chemical synthesis due to its reactivity and versatility.

What are the main uses of 2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4)?

This compound is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in industrial chemistry for the synthesis of various derivatives and in the production of specialty chemicals. Its unique structure makes it valuable in the development of agrochemicals and polymer-based materials.

Is 2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4) safe?

2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4) is generally considered safe when handled properly. However, it should be treated with care as it may cause skin and eye irritation. Safety standards recommend using personal protective equipment (PPE) such as gloves and goggles, and working in a well-ventilated area to minimize exposure.

How should 2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4) be stored?

To ensure stability, 2-[(Carbamoyloxy)methyl]-2-methylpentyl isopropylcarbamate (CAS: 78-44-4) should be stored in a cool, dry place away from direct light. It is best kept in a sealed, airtight container to prevent moisture absorption. Storage at temperatures below 25°C and in low humidity conditions is recommended to maintain its chemical integrity.