(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

Basic Information

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CAS Number

115962-35-1

Molecular Formula

C15H19NO4

Molecular Weight

277.32 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 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

122-123 ºC

Boiling Point

420.18°C (rough estimate)

Flash Point

218.5°C

Refractive Index

1.5080 (estimate)

SMILES

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CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-11-7-5-4-6-10(11)8-12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1

InChIKey

HFPVZPNLMJDJFB-GFCCVEGCSA-N

LogP

2.433

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

388

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(R)-2-(Boc)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
(3R)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
N-Boc-D-Tic-OH
Boc-D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
HFPVZPNLMJDJFB-GFCCVEGCSA-N
AC-9997
2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester, (3R)-
(R)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
(R)-2-((tert-Butoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Oprea1_102082
115962-35-1
(3R)-2-tert-Butoxycarbonyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
11592-35-1
AKOS016015833
n-boc-(r)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Boc-D-Tic
N-Boc-D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
EN300-30944
MFCD00143818
DTXSID60350917
(R)-(-)-2-(tertButoxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
SCHEMBL2080858
Z317062676
Boc-(R)-1,2,3,4-tetrahydroisoquino-line-3-carboxylic acid
( R )-(-)-N-BOC-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID
CS-W009347
Boc-D-Tic-OH, >=97%
Boc-D-Tic-OH
(3R)-2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
PS-3743

MDL Number

MFCD00143818

Customs Code

2933499090

FAQ

What are the physical and chemical properties of (3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid (CAS: 115962-35-1)?

(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid is a white crystalline solid with a molecular weight of approximately 318.37 g/mol. It is slightly soluble in water and more soluble in organic solvents. This compound is relatively stable but can react with bases and acids. It exhibits a pKa of about 4.5.

How is (3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid (CAS: 115962-35-1) typically synthesized?

(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid can be synthesized via a multistep process involving the protection of the hydroxyl group, followed by the introduction of the carbonyl group. The reaction is typically catalyzed by a mild acid and proceeds with high selectivity and good yield. Detailed synthesis protocols can be found in the literature.

What industries use (3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid (CAS: 115962-35-1)?

(3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid is primarily used in the pharmaceutical industry for the development of novel drug candidates. It may also find applications in the polymer and sensor industries, although more research is needed to explore its full potential in these areas.

What precautions should be taken when handling (3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid (CAS: 115962-35-1)?

When handling (3R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.