Calcoloid Olive R

Base Information

• Chemical Name: Calcoloid Olive R
• CAS No.: 2379-81-9
• Deprecated CAS: 61356-49-8
• Molecular Formula: C42H23N3O6
• Molecular Weight: 665.661
• European Community (EC) Number: 219-169-9,923-269-4,841-116-9
• NSC Number: 51543
• DSSTox Substance ID: DTXSID70862910
• Mol file: 2379-81-9.mol

Synonyms:Vat Black 27;Calcoloid Olive R;2379-81-9;C.I. VAT BLACK 27;Cibanone Olive 2R;Ahcovat Olive R;Caledon Olive R;Mayvat Olive AR;Ponsol Olive AR;Paradone Olive R;Benzadone Olive R;Ponsol Olive ARD;Tinon Olive 2R;Caledone Olive RP;Amanthrene Olive R;Fenanthren Olive R;Indanthren Olive R;Mikethrene Olive R;Nyanthrene Olive R;Ostanthren Olive R;Ahcovat Olive ARN;Atic Vat Olive R;Tyrian Olive I-R;Calcoloid Olive RC;Calcoloid Olive RL;Indanthrene Olive R;Nihonthrene Olive R;Palanthrene Olive R;Pernithrene Olive R;Solanthrene Olive R;Romantrene Olive FR;Carbanthrene Olive R;Cibanone Olive F2R;Aromantrene Olive FR;Sandothrene Olive N2R;Solanthrene Olive F-R;Oliv ostanthrenovy R;CERN kypova 27 [Czech];Oliv Ostanthrenovy R [Czech];CERN kypova 27;C.I. 69005;EINECS 219-169-9;NSC 51543;BRN 0383550;16H-Dinaphtho(2,3-a:2',3'-i)carbazole-5,10,15,17-tetraone, 6,9-dibenzamido-;4-22-00-06653 (Beilstein Handbook Reference);Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-6,9-diyl)bis-;N,N'-(10,15,16,17-Tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-I]carbazole-6,9-diyl)bis(benzamide);Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho(2,3-a:2',3'-i)carbazole-6,9-diyl)bis-;Benzamide,N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-6,9-diyl)bis-;N,N'-(10,15,16,17-Tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho(2,3-a:2',3'-i)carbazole-6,9-diyl)bis(benzamide);Benzamide, N,N'-(10,15,16,17-tetrahydro- 5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i ]carbazole-6,9-diyl)bis-;DTXSID70862910;NSC51543;NSC-51543;AKOS040750976;LS-62041;W-109780;WLN: T I6 G6 F6 D5 C666 BV EM HV OV XVJ QMVR& VMVR;16H-Dinaphtho(2,3'-i)carbazole-5,10,15,17-tetraone, 6,9-dibenzamido-;Benzamide,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-6,9-diyl)bis-;N-(28-benzamido-6,13,19,26-tetraoxo-16-azaheptacyclo[15.12.0.02,15.05,14.07,12.018,27.020,25]nonacosa-1(29),2,4,7,9,11,14,17,20,22,24,27-dodecaen-4-yl)benzamide;N-[9-(benzoylamino)-5,10,15,17-tetraoxo-10,15,16,17-tetrahydro-5H-dinaphtho[2,3-a:2,3-i]carbazol-6-yl]benzamide

Chemical Property of Calcoloid Olive R

Chemical Property:

• Refractive Index: 1.831
• Boiling Point: 685.54°C (rough estimate)
• PKA: 11.19±0.20(Predicted)
• PSA: 142.27000
• Density: 1.537 g/cm³
• LogP: 7.52250
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 665.15868546
• Heavy Atom Count: 51
• Complexity: 1340

Purity/Quality:

98%, ^*data from raw suppliers

VAT BLACK 27 (C.I.69005) AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C4C(=C2)C5=CC(=C6C(=C5N4)C(=O)C7=CC=CC=C7C6=O)NC(=O)C8=CC=CC=C8)C(=O)C9=CC=CC=C9C3=O

Technology Process of Calcoloid Olive R

There total 4 articles about Calcoloid Olive R which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4,4'-bis-benzoylamino-1,1'-imino-di-anthraquinone (128-79-0) → 6,9-bis-benzoylamino-16H-dinaphtho[2,3-a;2',3'-i]carbazole-5,10,15,17-tetraone (2379-81-9,61356-49-8)

Guidance literature:

With sulfuric acid; at 25 - 30 ℃; Behandeln mit Natriumchlorat-Loesung bei 80grad;

Reference yield:

1-amino-4-benzamidoanthraquinone (81-46-9) → 6,9-bis-benzoylamino-16H-dinaphtho[2,3-a;2',3'-i]carbazole-5,10,15,17-tetraone (2379-81-9,61356-49-8)

Guidance literature:

Multi-step reaction with 2 steps

2: chlorosulfonic acid / 25 - 30 °C

With chlorosulfonic acid;

Reference yield:

6,9-diamino-16H-dinaphtho[2,3-a;2',3'-i]carbazole-5,10,15,17-tetraone (26592-20-1) + benzoyl chloride (98-88-4) → 6,9-bis-benzoylamino-16H-dinaphtho[2,3-a;2',3'-i]carbazole-5,10,15,17-tetraone (2379-81-9,61356-49-8)

Guidance literature:

With nitrobenzene;

upstream raw materials:

4,4'-bis-benzoylamino-1,1'-imino-di-anthraquinone

6,9-diamino-16H-dinaphtho[2,3-a;2',3'-i]carbazole-5,10,15,17-tetraone

benzoyl chloride

1-amino-4-benzamidoanthraquinone