(3R)-Tetrahydro-3-furanamine 4-methylbenzenesulfonate (1:1)

Basic Information

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CAS Number

111769-27-8

Molecular Formula

C11H17NO4S

Molecular Weight

259.33 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

139-141 °C

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)O.C1COCC1N

InChI

InChI=1S/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;5-4-1-2-6-3-4/h2-5H,1H3,(H,8,9,10);4H,1-3,5H2/t;4-/m.1/s1

InChIKey

BZXPLADBSZWDIH-FZSMXKCYSA-N

LogP

0.9757199999999999

Topological Polar Surface Area

89.62 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

253

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(R)-Tetrahydro-3-furylamine p-toluenesulfonate salt
(R)-(-)-3-aminotetrahydrofuran toluene-4-sulfonate
(R)-3-Aminotetrahydrofuran tosylate
3-Furanamine, tetrahydro-, (R)-, 4-methylbenzenesulfonate
(R)-Tetrahydrofuran-3-amine-4-methylbenzenesulfonate
(R)-(+)-Tetrahydro-3-furylamine p-toluenesulfonate salt
CS-W002189
(R)-(+)-tetrahydrofuran-3-amine 4-methylbenzene-sulfonate
(R)-(+)-3-AMINOTETRAHYDROFURAN TOLUENE-4-SULFONATE
J-502097
4-methylbenzenesulfonic acid;(3R)-oxolan-3-amine
AM20060485
AKOS015899928
(r)-(+)-3-aminotetrahydrofuran p-toluenesulfonate
(R)-TETRAHYDROFURAN-3-AMINE 4-METHYLBENZENESULFONATE
MFCD00040622
(R)-tetrahydrofuran-3-aminium 4-methylbenzenesulfonate
111769-27-8
AS-19335
(R)-(+)-Tetrahydro-3-furylamine p-toluenesulfonate; 3-Furanamine, tetrahydro-, (3R)-, 4-methylbenzenesulfonate; (r)-(+)-3-aminotetrahydrofuran p-toluenesulfonate salt; (r)-(+)-tetrahydro-3-furylamine p-toluenesulfonate salt; (R)-3-Aminotetrahydrofuran tosylate;(R)-Tetrahydrofuran-3-amine 4-methylbenzenesulfonate
DTXSID80557885
AKOS015840392
SCHEMBL82778
4-Methylbenzene-1-sulfonic acid--(3R)-oxolan-3-amine (1/1)
(R)-(+)-tetrahydrofuran-3-amine 4-methyl-benzene-sulfonate
(R)-(+)-Tetrahydro-3-furylamine p-toluenesulfonate salt, >=99.0% (T)
(R)-3-Aminotetrahydrofuran-p-toluenesulfonate
BZXPLADBSZWDIH-FZSMXKCYSA-N
(r)-3-aminotetrahydrofuran p-toluene-sulfonic acid salt
(R)-(+)-tetrahydrofuran-3-amine 4-methyl-benzenesulfonate
A894695

MDL Number

MFCD00040622

FAQ

What are the physical and chemical properties of (3R)-Tetrahydro-3-furanamine 4-methylbenzenesulfonate (CAS: 111769-27-8)?

(3R)-Tetrahydro-3-furanamine 4-methylbenzenesulfonate (CAS: 111769-27-8) is a solid compound with a crystalline form. It has a molecular weight of approximately 254.26 g/mol and a solubility in water of 0.001 g/L at 25°C. The compound is moderately reactive, showing basic properties due to the amine group. It is insoluble in nonpolar solvents but soluble in polar solvents like methanol and dimethylformamide.

How is (3R)-Tetrahydro-3-furanamine 4-methylbenzenesulfonate (CAS: 111769-27-8) typically synthesized?

(3R)-Tetrahydro-3-furanamine 4-methylbenzenesulfonate is typically synthesized by reacting 4-methylbenzenesulfonyl chloride with (3R)-tetrahydro-3-furanamine in the presence of a base such as triethylamine. The reaction proceeds via nucleophilic substitution, yielding the desired sulfonate ester with good selectivity and moderate yield. Optimal conditions for the synthesis include a temperature range of 0-5°C.

What industries use (3R)-Tetrahydro-3-furanamine 4-methylbenzenesulfonate (CAS: 111769-27-8)?

(3R)-Tetrahydro-3-furanamine 4-methylbenzenesulfonate (CAS: 111769-27-8) is used in the pharmaceutical industry for its potential as a precursor in the synthesis of various bioactive compounds. It also finds applications in the development of sensors and semiconductors due to its chemical properties. In polymer science, it can be used in the modification of polymers to improve their functionality.

What precautions should be taken when handling (3R)-Tetrahydro-3-furanamine 4-methylbenzenesulfonate (CAS: 111769-27-8)?

When handling (3R)-Tetrahydro-3-furanamine 4-methylbenzenesulfonate (CAS: 111769-27-8), it is essential to use personal protective equipment such as gloves, goggles, and a lab coat. Ensure the use of a fume hood during handling to avoid inhalation. Spills should be cleaned up using appropriate absorbent materials followed by rinsing the area with water. Always consult the Material Safety Data Sheet (MSDS) for detailed handling and safety information.