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CAS No.: | 132-63-8 |
---|---|
Name: | 1-Methoxycarbonylamino-7-naphthol |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H11NO3 |
Molecular Weight: | 217.224 |
Synonyms: | 1-Naphthalenecarbamicacid, 7-hydroxy-, methyl ester (6CI,8CI);Methyl N-(7-hydroxynaphthalen-1-yl)carbamate;Carbamic acid, (7-hydroxy-1-naphthalenyl)-, methyl ester;Methyl 7-hydroxy-1-naphthylcarbamate; |
EINECS: | 205-070-8 |
Density: | 1.345 g/cm3 |
Melting Point: | 51-52 °C |
Boiling Point: | 361.9 °C at 760 mmHg |
Flash Point: | 172.6 °C |
Appearance: | grey powder |
Hazard Symbols: | Xn |
Risk Codes: | R20/21/22 |
PSA: | 58.56000 |
LogP: | 2.79670 |
Conditions | Yield |
---|---|
With pyridine for 0.75h; | 100% |
methyl 7-hydroxy-1-naphthylcarbamate
8-isocyanato-2-naphthol
Conditions | Yield |
---|---|
Stage #1: methyl 7-hydroxy-1-naphthylcarbamate With triethylamine In toluene for 0.166667h; Heating; Stage #2: With 2-chloro-1,3,2-benzodioxaborole In toluene for 0.25h; Further stages.; |
methyl 7-hydroxy-1-naphthylcarbamate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: Et3N / toluene / 0.17 h / Heating 1.2: B-chlorocatecholborane / toluene / 0.25 h 2.1: toluene / 0.17 h / Heating View Scheme |
methyl 7-hydroxy-1-naphthylcarbamate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: Et3N / toluene / 0.17 h / Heating 1.2: B-chlorocatecholborane / toluene / 0.25 h 2.1: toluene / 0.17 h / Heating View Scheme |
methyl 7-hydroxy-1-naphthylcarbamate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: Et3N / toluene / 0.17 h / Heating 1.2: B-chlorocatecholborane / toluene / 0.25 h 2.1: toluene / 0.17 h / Heating View Scheme |
methyl 7-hydroxy-1-naphthylcarbamate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: Et3N / toluene / 0.17 h / Heating 1.2: B-chlorocatecholborane / toluene / 0.25 h 2.1: toluene / 0.17 h / Heating View Scheme |
methyl 7-hydroxy-1-naphthylcarbamate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: Et3N / toluene / 0.17 h / Heating 1.2: B-chlorocatecholborane / toluene / 0.25 h 2.1: toluene / 0.17 h / Heating View Scheme |
methyl 7-hydroxy-1-naphthylcarbamate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: Et3N / toluene / 0.17 h / Heating 1.2: B-chlorocatecholborane / toluene / 0.25 h 2.1: toluene / 0.17 h / Heating View Scheme |
methyl 7-hydroxy-1-naphthylcarbamate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: Et3N / toluene / 0.17 h / Heating 1.2: B-chlorocatecholborane / toluene / 0.25 h 2.1: toluene / 0.17 h / Heating View Scheme |
methyl 7-hydroxy-1-naphthylcarbamate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: Et3N / toluene / 0.17 h / Heating 1.2: B-chlorocatecholborane / toluene / 0.25 h 2.1: toluene / 0.17 h / Heating View Scheme |
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The Carbamic acid,N-(7-hydroxy-1-naphthalenyl)-, methyl ester with CAS registry number of 132-63-8 is also known as Methyl 7-hydroxy-1-naphthylcarbamate. The IUPAC name is Methyl N-(7-hydroxynaphthalen-1-yl)carbamate. Its EINECS registry number is 205-070-8. In addition, the formula is C12H11NO3 and the molecular weight is 217.22.
Physical properties about Carbamic acid,N-(7-hydroxy-1-naphthalenyl)-, methyl ester are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.89; (6)ACD/BCF (pH 7.4): 30.73; (7)ACD/KOC (pH 5.5): 405.56; (8)ACD/KOC (pH 7.4): 403.45; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.694; (13)Molar Refractivity: 61.99 cm3; (14)Molar Volume: 161.4 cm3; (15)Surface Tension: 60.1 dyne/cm; (16)Density: 1.345 g/cm3; (17)Flash Point: 172.6 °C; (18)Enthalpy of Vaporization: 63.17 kJ/mol; (19)Boiling Point: 361.9 °C at 760 mmHg; (20)Vapour Pressure: 9.66E-06 mmHg at 25 °C.
Preparation of Carbamic acid,N-(7-hydroxy-1-naphthalenyl)-, methyl ester: it is prepared by reaction of carbonochloridic acid methyl ester with 8-amino-[2]naphthol. The reaction needs reagent pyridine for 45 minutes. The yield is about 100%.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC(=O)NC1=CC=CC2=C1C=C(C=C2)O
2. InChI: InChI=1S/C12H11NO3/c1-16-12(15)13-11-4-2-3-8-5-6-9(14)7-10(8)11/h2-7,14H,1H3,(H,13,15)
3. InChIKey: DZNFLGGCJZUMEM-UHFFFAOYSA-N