ChemicalBook > CAS DataBase List > Isoquinoline-3-carboxylic acid

Isoquinoline-3-carboxylic acid

Product Name
Isoquinoline-3-carboxylic acid
CAS No.
6624-49-3
Chemical Name
Isoquinoline-3-carboxylic acid
Synonyms
NSC 53385;AKOS BB-8838;3-ISOQUINALDIC ACID;RARECHEM AL BO 1320;3-Carboxyisoquinoline;Isoquinoline-3-carboxylicaci;ISOQUINOLINE-3-CARBOXYLIC ACID;3-ISOQUINOLINECARBOXYLIC ACID 98%;Isoquinoline-3-carboxylic acid, 98%;3-Isoquinolinecarboxylic acid (6CI,9CI)
CBNumber
CB6452027
Molecular Formula
C10H7NO2
Formula Weight
173.17
MOL File
6624-49-3.mol
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Isoquinoline-3-carboxylic acid Property

Melting point:
166-167°C
Boiling point:
366.4±17.0 °C(Predicted)
Density 
1.339±0.06 g/cm3(Predicted)
storage temp. 
2-8°C
solubility 
DMF: 20 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 20 mg/ml; Ethanol: 5 mg/ml
form 
A crystalline solid
pka
1.20±0.30(Predicted)
color 
Off-white to light yellow
InChI
InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)
InChIKey
KVMMIDQDXZOPAB-UHFFFAOYSA-N
SMILES
C1C2=C(C=CC=C2)C=C(C(O)=O)N=1
CAS DataBase Reference
6624-49-3(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38-36
Safety Statements 
26-37/39
HS Code 
2933499090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TCI Chemical
Product number
I1246
Product name
Isoquinoline-3-carboxylic Acid
Packaging
1G
Price
$136
Updated
2025/07/31
TCI Chemical
Product number
I1246
Product name
Isoquinoline-3-carboxylic Acid
Packaging
5G
Price
$408
Updated
2025/07/31
Cayman Chemical
Product number
19194
Product name
Isoquinoline-3-carboxylic Acid
Purity
≥98%
Packaging
1g
Price
$81
Updated
2024/03/01
Cayman Chemical
Product number
19194
Product name
Isoquinoline-3-carboxylic Acid
Purity
≥98%
Packaging
5g
Price
$356
Updated
2024/03/01
Cayman Chemical
Product number
19194
Product name
Isoquinoline-3-carboxylic Acid
Purity
≥98%
Packaging
10g
Price
$632
Updated
2024/03/01
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Isoquinoline-3-carboxylic acid Chemical Properties,Usage,Production

Uses

Isoquinoline-3-carboxylic Acid is a reagent used in the synthesis of an anti-Trypanosoma agent, which acts as a minor groove binder affecting the biological activity.

Synthesis

74163-81-8

6624-49-3

At 0°C, 10.0 g (0.046 mmol) of (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid was dissolved in 200 ml of N,N-dimethylformamide and 5.0 g (0.032 mmol) of potassium permanganate (KMnO4) was slowly added over 30 min. The reaction mixture was stirred at room temperature for 100 h. The progress of the reaction was monitored by thin layer chromatography (TLC, unfolding agent ratio CCl3:CH3OH = 5:1) to confirm complete consumption of (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Subsequently, the reaction mixture was concentrated under vacuum. The residue was washed several times with distilled water to give 8.1 g (83% yield) of isoquinoline-3-carboxylic acid as a yellow powder. The product was analyzed by ESI-MS (m/e) showing [M + H]+ peak of 174; 1H NMR (300 MHz, DMSO) δ/ppm = 10.81 (s, 1H), 9.52 (s, 1H), 8.43 (s, 1H), 7.52 (m, 4H); 13C NMR (75 MHz, DMSO) δ/ppm = 164.9, 152.3, 143.5, 136.2, 131.3, 129.7, 127.2, 125.8.

References

[1] European Journal of Medicinal Chemistry, 2011, vol. 46, # 5, p. 1672 - 1681
[2] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 20, p. 4434 - 4436
[3] Patent: CN106986825, 2017, A
[4] Journal of Agricultural and Food Chemistry, 2018, vol. 66, # 34, p. 8957 - 8965

Isoquinoline-3-carboxylic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from Isoquinoline-3-carboxylic acid manufacturers

Henan Aochuang Chemical Co.,Ltd.
Product
Isoquinoline-3-carboxylic acid 6624-49-3
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1ton
Release date
2022-09-29
Career Henan Chemical Co
Product
Isoquinoline-3-carboxylic acid 6624-49-3
Price
US $6.60/KG
Min. Order
1KG
Purity
97%-99%
Supply Ability
1kg-1000kg
Release date
2019-12-25

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