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(3S)-2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | CAS No. 79261-58-8

(3S)-2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

Basic Information

Chemical_Structure_Of

CAS Number

79261-58-8

Molecular Formula

C18H17NO4

Molecular Weight

311.34 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

137-141 ºC

Boiling Point

451.38°C (rough estimate)

Density

1.2626 (rough estimate)

Flash Point

269.8℃

Refractive Index

23.5 ° (C=2, MeOH)

SMILES

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17NO4/c20-17(21)16-10-14-8-4-5-9-15(14)11-19(16)18(22)23-12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,21)/t16-/m0/s1

InChIKey

YWVQGUBCAUFBCP-INIZCTEOSA-N

LogP

2.8347000000000016

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

433

Safety Information

View Safety Information

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

Synonyms & References

English

(3S)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
(3S)-2-[(benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SCHEMBL3629346
BCP17544
(3S)-2-[benzyloxycarbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CS-W002660
(3S)-2-[(benzyloxy)carbonyl]-1,2,3,4-tetrahydro-3-isoquinoline-carboxylic acid
Z-(3S)-1,2,3,4-tetrahydroisoquinolene-3-carboxylic acid
(3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid
W-203814
MFCD00672545
79261-58-8
(S)-2-((BENZYLOXY)CARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
(3S)-2-[(benzyloxy)carbonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
YWVQGUBCAUFBCP-INIZCTEOSA-N
EN300-122137
(3S)-2-Cbz-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid
(S)-(+)-2-(Benzyloxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
(S)-2-(benzyloxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
AKOS015920142
AS-18553
Z-Tic-OH
2N-Boc-1,2,3,4-tetrahydroisoquinolene-3S-carboxylic acid
2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester, (3S)-
(3S)-2-[Benzyloxycarbonyl]-1,2,3,4-tetrahydroisoquinoline -3-carboxylic acid
Z-L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Z-D-[3S]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
(3S)-2-Cbz-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid

MDL Number

MFCD00672545

Customs Code

2933499090

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide structure

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS Number: 1016505-59-1

Molecular Formula: C8H7N3O2

(10,10,10-~2~H_3_)Decanoic acid structure

(10,10,10-~2~H_3_)Decanoic acid

CAS Number: 102611-15-4

Molecular Formula: C10H17D3O2

Methyl 8-methylquinoline-7-carboxylate structure

Methyl 8-methylquinoline-7-carboxylate

CAS Number: 1030846-94-6

Molecular Formula: C12H11NO2

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid structure

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid

CAS Number: 1048919-15-8

Molecular Formula: C12H14FNO4

4,6-Nonadecadiyn-1-ol structure

4,6-Nonadecadiyn-1-ol

CAS Number: 1071447-01-2

Molecular Formula: C19H32O

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one structure

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

CAS Number: 110187-11-6

Molecular Formula: C19H18O6

Azithromycin EP Impurity J structure

Azithromycin EP Impurity J

CAS Number: 117693-41-1

Molecular Formula: C30H58N2O9

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride structure

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride

CAS Number: 1198286-24-6

Molecular Formula: C16H26Cl2N2

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Supplier Information

Shanghai Tengzhun BioScience Co., Ltd.

CAS Number: 79261-58-8

Shanghai Jixiang Biotechnology Co., Ltd.

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ASTATECH, INC

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