tert-Butyl Pyrrolidine-3-carboxylate

Basic Information

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CAS Number

91040-52-7

Molecular Formula

C9H17NO2

Molecular Weight

171.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)C1CCNC1

InChI

InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7-4-5-10-6-7/h7,10H,4-6H2,1-3H3

InChIKey

XWAHLXHVEMYNMY-UHFFFAOYSA-N

LogP

0.9375999999999998

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

172

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

tert-Butyl pyrrolidine-3-carboxylate
3-Pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester
pyrrolidine-3-carboxylic acid tert-butyl ester
(s)-tert-butyl pyrrolidine-3-carboxylate
(r)-tert-butyl pyrrolidine-3-carboxylate
3-t-butoxycarbonylpyrrolidine
3-tert-butyloxycarbonylpyrrolidine
XWAHLXHVEMYNMY-UHFFFAOYSA-N
tert-butyl 3-pyrrolidinecarboxylate
tert-ButylPyrrolidine-3-carboxylate
2876AF
SBB088527
SY013367
3-(TERT-BUTYLOXYCARBONYL)PYRROLIDINE
1,1-Dimethylethyl 3-pyrrolidinecarboxylate (ACI)
3-(tert-Butoxycarbonyl)pyrrolidine
3-(tert-Butyloxycarbonyl)pyrrolidine
tert-butyl pyrrolidine-3-carboxylate
CS-0089509
Z1078660004
MFCD07375442
AC-23533
tert-Butyl (S)-Pyrrolidine-3-carboxylate
tert-Butyl Pyrrolidine-3-carboxylate
3-Pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester, (3S)-
AB89532
SY249525
DTXSID20625416
3-Pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester, (3R)-
EN300-100786
AKOS012331566

MDL Number

MFCD07375442

FAQ

What regulatory guidelines apply to tert-Butyl Pyrrolidine-3-carboxylate (CAS: 91040-52-7)?

The regulatory guidelines for tert-Butyl Pyrrolidine-3-carboxylate (CAS: 91040-52-7) include GHS classification, which categorizes it as a hazardous chemical based on its physical and health hazards. Additionally, it is subject to the EU REACH regulations, which require registration for substances above one tonne per year. In the US, the FDA and EPA have specific requirements for its handling, storage, and disposal, particularly in relation to its potential toxicity and environmental impact.

Are there alternatives to tert-Butyl Pyrrolidine-3-carboxylate (CAS: 91040-52-7) in synthesis?

There are several alternatives to tert-Butyl Pyrrolidine-3-carboxylate (CAS: 91040-52-7) in synthesis, including other amides and carboxylates with similar functionalities. Common alternatives include tert-Butyl Pyrrolidin-2-one and tert-Butyl Pyrrolidine-2-carboxylate. These alternatives can serve similar roles in various organic reactions, often with advantages in reactivity or availability.

What is the market or research trend for tert-Butyl Pyrrolidine-3-carboxylate (CAS: 91040-52-7)?

The market for tert-Butyl Pyrrolidine-3-carboxylate (CAS: 91040-52-7) is driven by its use as a precursor in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Research trends indicate growing interest in its use as a non-toxic, biodegradable alternative to conventional reagents. There is also an increasing focus on its application in developing sustainable chemical processes and green chemistry practices.

How should waste containing tert-Butyl Pyrrolidine-3-carboxylate (CAS: 91040-52-7) be handled?

Waste containing tert-Butyl Pyrrolidine-3-carboxylate (CAS: 91040-52-7) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method for its disposal, but it must be done in accordance with environmental regulations. Protective measures should be taken during handling to prevent exposure, and environmental precautions should include proper containment and monitoring to ensure no contamination occurs.